SCHEMBL840077

SCHEMBL840077

C=C1NC(=O)C(C(C)C)S1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PSMD14 O00487 1/20 0.44
TSHR P16473 1/20 0.41
HSD11B1 P28845 4/20 0.41
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL18102338 0.77 TSHR (0.64) PSMD14TSHRHSD11B1ALDH1A1HPGD
SCHEMBL22380663 0.77 TSHR (0.64) PSMD14TSHRHSD11B1ALDH1A1HPGD
SCHEMBL22623766 0.74 PSMD14 (0.44) PSMD14TSHRHSD11B1ALDH1A1HPGD
SCHEMBL3080998 0.74 PSMD14 (0.77) PSMD14TSHRHSD11B1ALDH1A1HPGD
SCHEMBL791114 0.70
SCHEMBL14508243 0.70 TSHR (0.46) PSMD14TSHRHSD11B1
SCHEMBL13323568 0.67
SCHEMBL12040071 0.65
SCHEMBL22861645 0.64 PSMD14 (0.38) PSMD14TSHRHSD11B1ALDH1A1HPGD
SCHEMBL23775714 0.62 MAPT (0.39) PSMD14HSD11B1ALDH1A1HPGD

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365570-A1 COMPOUNDS WITH GLUCOCORTICOID SPARING EFFECTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 US disclosed
US-20230338311-A1 SUPPRESSION OF INFLAMMASOME ACTIVATION WASHINGTON UNIVERSITY (US) 2023-10-26 US disclosed
US-20230286982-A1 PROTEASOME ENHANCERS AND USES THEREOF BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2023-09-14 US disclosed
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-08-24 US disclosed
US-20230234950-A1 CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230193328-A1 METHOD TO PRODUCE THE ANTI-MICROBIAL DITERPENOID LEUBETHANOL AND RELATED SERRULATANE-TYPE DITERPENES BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2023-06-22 US disclosed
US-20230159445-A1 STAT INHIBITORY COMPOUNDS AND COMPOSITIONS OXFORD FINANCE LLC 2023-05-25 US disclosed
US-20230137956-A1 ALPHA SUBSTITUTED STAT INHIBITORS AND COMPOSITIONS THEREOF OXFORD FINANCE LLC 2023-05-04 US disclosed
EP-2603514-B1 CYCLIC BORONIC ACID ESTER DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS INC (US) 2018-07-18 EP disclosed
US-20170360759-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS SYNGENE INTERNATIONAL LIMITED (IN) 2017-12-21 US disclosed
EP-2376432-B1 NOVEL EICOSANOID DERIVATIVES MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN (MDC) (DE) 2017-04-12 EP disclosed
US-9440938-B2 Sulfonamide derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2016-09-13 US disclosed
US-9108920-B2 Diazeniumdiolate heterocyclic derivatives MERCK SHARP & DOHME CORP. (US) 2015-08-18 US disclosed
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO (JP) 2015-06-11 US disclosed
US-8623903-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2014-01-07 US disclosed
US-20130289003-A1 DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME LLC 2013-10-31 US disclosed
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA (JP) 2012-06-07 US disclosed
US-8143285-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-27 US disclosed
US-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA 2011-02-03 US disclosed
US-20110002866-A1 METHODS TO PREVENT A HAIR-RELATED SIDE EFFECT OF TREATMENT WITH A CHEMOTHERAPEUTIC AGENT LUBIT BEVERLY W 2011-01-06 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 (13 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-20230234950-A1 CRBN LIGANDS AND USES THEREOF CRBN, CRKL, ERBB3 PSMD14 1056/4885TSHR 2599/4885HSD11B1 3318/4885
US-20230286982-A1 PROTEASOME ENHANCERS AND USES THEREOF PSME3, PSME1, PSME4 PSMD14 67/4885TSHR 4437/4885HSD11B1 2648/4885
US-20170360759-A1 CARBAMOYLOXYMETHYL TRIAZOLE CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR1, LPAR2 PSMD14 4570/4885TSHR 554/4885HSD11B1 792/4885
US-20150158833-A1 SULFONAMIDE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, PTGDR2, CNR2 PSMD14 637/4885TSHR 1013/4885HSD11B1 1478/4885
US-20110002866-A1 METHODS TO PREVENT A HAIR-RELATED SIDE EFFECT OF TREATMENT WITH A CHEMOTHERAPEUTIC AGENT PGF, PTGS1, PTGS2 PSMD14 3339/4885TSHR 3096/4885HSD11B1 626/4885
US-20110028717-A1 AZAINDOLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, HRH2, PTGDR2 PSMD14 1514/4885TSHR 657/4885HSD11B1 1169/4885
US-20230159445-A1 STAT INHIBITORY COMPOUNDS AND COMPOSITIONS STAT5A, STAT5B, STAT3 PSMD14 1238/4885TSHR 1300/4885HSD11B1 3010/4885
US-20130289003-A1 DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES PGF, ALPP, PAH PSMD14 4187/4885TSHR 2850/4885HSD11B1 255/4885
US-20230137956-A1 ALPHA SUBSTITUTED STAT INHIBITORS AND COMPOSITIONS THEREOF STAT5A, STAT5B, STAT3 PSMD14 1164/4885TSHR 1212/4885HSD11B1 2813/4885
US-20230365570-A1 COMPOUNDS WITH GLUCOCORTICOID SPARING EFFECTS AND USES THEREOF NR3C1, NR3C2, NR5A1 PSMD14 4337/4885TSHR 1269/4885HSD11B1 17/4885
US-20230338311-A1 SUPPRESSION OF INFLAMMASOME ACTIVATION NLRP3, IL1B, NOD2 PSMD14 3133/4885TSHR 4461/4885HSD11B1 2205/4885
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, CYSLTR1, CYSLTR2 PSMD14 1072/4885TSHR 499/4885HSD11B1 794/4885
US-20230265055-A1 STAT INIHIBITORY COMPOUNDS AND COMPOSITIONS STAT5B, STAT5A, STAT3 PSMD14 1456/4885TSHR 1093/4885HSD11B1 3659/4885

“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.