SCHEMBL2625547

SCHEMBL2625547

CC(C)(C)CCS(C)(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.38
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1908883 0.82 ALDH1A1 (0.37) NLRP3ALDH1A1LMNATP53
SCHEMBL3089492 0.81
SCHEMBL1908886 0.80 ALDH1A1 (0.40) NLRP3ALDH1A1LMNATP53
SCHEMBL27013497 0.78 ALDH1A1 (0.39) NLRP3ALDH1A1LMNATP53
SCHEMBL12141473 0.78 APEX1 (0.30)
SCHEMBL14151428 0.77 GRM4 (0.37) NLRP3
SCHEMBL21025100 0.77 PMP22 (0.37)
SCHEMBL22787679 0.77 NLRP3 (0.35) NLRP3
SCHEMBL19786440 0.75
SCHEMBL14003210 0.75 NLRP3 (0.33) NLRP3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-20240025903-A1 Bicyclic Compounds and Uses Thereof for the Treatment of Diseases ATHIRA PHARMA, INC. (US) 2024-01-25 US disclosed
US-20240016949-A1 ANTIBODY-DRUG CONJUGATE, AND INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SHANGHAI FUDAN-ZHANGJIANG BIO-PHARMACEUTICAL CO., LTD. (CN) 2024-01-18 US disclosed
US-20240016949-A1 ANTIBODY-DRUG CONJUGATE, AND INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SHANGHAI FUDAN-ZHANGJIANG BIO-PHARMACEUTICAL CO., LTD. (CN) 2024-01-18 US disclosed
US-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-09-07 US disclosed
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF UNIV ROCKEFELLER (US) 2023-08-31 US disclosed
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-25 US disclosed
US-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2023-07-18 US disclosed
US-20230219956-A1 QUINAZOLINE COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF BETTA PHARMACEUTICALS CO.,LTD (CN) 2023-07-13 US disclosed
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE CYANA THERAPEUTICS LLC 2023-06-22 US disclosed
US-20110306624-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 US disclosed
US-20110200587-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-18 US disclosed
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-01-27 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-7601850-B2 less hypercalcemic than 1a,25 dihydroxy vitamin D3; bone disorders, psoriasis ELI LILLY AND COMPANY (US) 2009-10-13 US disclosed
US-7375102-B2 Tetrahydroquinazolin-4(3H)-one-related and tetrahydropyrido[2,3-D]pyrimidin-4(3H)-one-related compounds, compositions and methods for their use AMGEN SF, LLC (US) 2008-05-20 US disclosed
US-7271271-B2 Imidazolo-related compounds, compositions and methods for their use AMGEN SF, LLC (US) 2007-09-18 US disclosed
US-7271271-B2 Imidazolo-related compounds, compositions and methods for their use AMGEN SF, LLC (US) 2007-09-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110200587-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG NLRP3 173/4885ALDH1A1 2108/4885LMNA 3430/4885
US-11701371-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 NLRP3 4165/4885ALDH1A1 3233/4885LMNA 2878/4885
US-20230272010-A1 ANTIBACTERIAL SYNTHETIC-BIOINFORMATIC NATURAL PRODUCTS AND USES THEREOF LSS, NRDC, SPOUT1 NLRP3 644/4885ALDH1A1 4234/4885LMNA 4548/4885
US-20240025903-A1 Bicyclic Compounds and Uses Thereof for the Treatment of Diseases HDGF, HGF, BDNF NLRP3 3680/4885ALDH1A1 642/4885LMNA 1247/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA NLRP3 69/4885ALDH1A1 2148/4885LMNA 4142/4885
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP NLRP3 1465/4885ALDH1A1 4861/4885LMNA 1583/4885
US-20110306624-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GCGR, GLP1R, GPR119 NLRP3 1992/4885ALDH1A1 4625/4885LMNA 2268/4885
US-20230219956-A1 QUINAZOLINE COMPOUND AND PHARMACEUTICAL APPLICATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ABCG2, NQO2 NLRP3 882/4885ALDH1A1 2410/4885LMNA 3851/4885
US-20110021521-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, KCNA3 NLRP3 557/4885ALDH1A1 2432/4885LMNA 421/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 NLRP3 1883/4885ALDH1A1 617/4885LMNA 3803/4885
US-20240016949-A1 ANTIBODY-DRUG CONJUGATE, AND INTERMEDIATE THEREOF, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF VSIG8, CD81, WEE1 NLRP3 3624/4885ALDH1A1 316/4885LMNA 3186/4885
US-20230190927-A1 ENPP1 INHIBITORS AND METHODS OF MODULATING IMMUNE RESPONSE ENPP1, STING1, ENPP3 NLRP3 2652/4885ALDH1A1 4801/4885LMNA 3267/4885
US-11707471-B2 ENPP1 inhibitors and their use for the treatment of cancer ENPP1, ENPP3, ENTPD1 NLRP3 4165/4885ALDH1A1 3233/4885LMNA 2878/4885
US-20230277570-A1 ENPP1 Inhibitors and Their Use for the Treatment of Cancer ENPP1, ENPP3, ENTPD1 NLRP3 4165/4885ALDH1A1 3233/4885LMNA 2878/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.