SCHEMBL8925914

SCHEMBL8925914

CC(C)(C)C(=O)CCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.58
LMNA P02545 2/20 0.50
TSHR P16473 6/20 0.48
NFKB1 P19838 1/20 0.48
PMP22 Q01453 1/20 0.48
AKR1B1 P15121 1/20 0.46
GPR84 Q9NQS5 7/20 0.44
PPARG P37231 6/20 0.44
PPARD Q03181 6/20 0.44
PPARA Q07869 6/20 0.44
HDAC11 Q96DB2 5/20 0.44
ALDH1A1 P00352 2/20 0.44
TLR2 O60603 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
FABP4 P15090 2/20 0.44
PTPN1 P18031 2/20 0.44
SLC22A8 Q8TCC7 1/20 0.44
MEN1 O00255 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL7256359 0.95 LMNA (0.58) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL25928800 0.92 TSHR (0.60) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL21318205 0.92 TSHR (0.60) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL21318214 0.92 TSHR (0.60) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL14519724 0.92 TSHR (0.60) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL21422305 0.92 TSHR (0.60) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL21422304 0.92 TSHR (0.60) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL21422313 0.92 TSHR (0.60) SLC22A6LMNATSHRNFKB1PMP22
SCHEMBL5021516 0.89 FAAH (0.40) SLC22A6LMNATSHRALDH1A1MEN1
SCHEMBL409946 0.83 EGLN1 (0.53) SLC22A6LMNATSHRNFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME LLC (US) 2023-10-05 US disclosed
US-20230233526-A1 GRANZYME B INHIBITOR COMPOSITIONS AND METHODS FOR THE PREVENTION AND/OR TREATMENT OF SKIN BLISTERING AND/OR PEELING THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2023-07-27 US disclosed
CN-113150068-B Peptide compound, application thereof and composition containing peptide compound 尚华医药科技(江西)有限公司 2023-04-04 CN disclosed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-9969772-B2 Covalent granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2018-05-15 US disclosed
US-9969770-B2 Proline compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2018-05-15 US disclosed
US-9849112-B2 Pyrrole compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2017-12-26 US disclosed
US-20170218014-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-20170015707-A1 COVALENT GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-01-19 US disclosed
US-20170015706-A1 PROLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-01-19 US disclosed
US-7851439-B2 EFTU inhibitors or aminothiazoles and their uses NOVARTIS AG (CH) 2010-12-14 US disclosed
CN-101801186-A Natural bioactive compounds AQUAPHARM BIO DISCOVERY LTD 2010-08-11 CN disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-20080221142-A1 useful in interfering with the life cycle of bacteria and in treating or preventing a bacterial infection NOVARTIS AG (CH) 2008-09-11 US disclosed
US-20080221142-A1 useful in interfering with the life cycle of bacteria and in treating or preventing a bacterial infection NOVARTIS AG (CH) 2008-09-11 US disclosed
US-20070225283-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-27 US disclosed
US-20070225283-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-09-27 US disclosed
EP-0233413-B1 3-(2-AMINOETHYL)INDOLE AND -INDOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PHARMA GmbH (DE) 1993-05-05 EP disclosed
US-4980368-A CEREBRALVASCULAR DISORDERS; ANTIHYPOXIA AGENTS; COGNITION ACTIVATORS; SENILITY BEECHAM-WUELFING GMBH & CO. KG (DE) 1990-12-25 US disclosed
EP-0233413-A2 3-(2-Aminoethyl)indole and -indoline derivatives, processes for their preparation and pharmaceutical compositions containing them SMITHKLINE BEECHAM PHARMA GmbH (DE) 1987-08-26 EP 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 (8 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-20170218014-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, DNASE1L3, DNASE1 SLC22A6 3496/4885LMNA 128/4885TSHR 4232/4885
US-20080221142-A1 useful in interfering with the life cycle of bacteria and in treating or preventing a bacterial infection LPO, PCNA, BPGM SLC22A6 2155/4885LMNA 1077/4885TSHR 3775/4885
US-20170015707-A1 COVALENT GRANZYME B INHIBITORS GZMB, CTSB, DNASE1L3 SLC22A6 2623/4885LMNA 73/4885TSHR 3769/4885
US-20070225283-A1 CONFORMATIONALLY RESTRICTED UREA INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE EPHX1, EPHX2, NCEH1 SLC22A6 1095/4885LMNA 3843/4885TSHR 3335/4885
US-20230233526-A1 GRANZYME B INHIBITOR COMPOSITIONS AND METHODS FOR THE PREVENTION AND/OR TREATMENT OF SKIN BLISTERING AND/OR PEELING GZMB, SERPINB1, CTSB SLC22A6 2319/4885LMNA 162/4885TSHR 4811/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO SLC22A6 3861/4885LMNA 255/4885TSHR 3526/4885
US-20170015706-A1 PROLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, CTSB, RNPEP SLC22A6 1194/4885LMNA 194/4885TSHR 4338/4885
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 SLC22A6 3029/4885LMNA 4484/4885TSHR 27/4885

“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.