SCHEMBL13086357

SCHEMBL13086357

COC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA14 Q9ULX7 2/20 0.48
TSHR P16473 1/20 0.47
DPP4 P27487 1/20 0.45
BIRC2 Q13490 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 2/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
THRB P10828 1/20 0.39

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
Hydrochloric Acid SCHEMBL30698081 0.98 CA12 (0.47) CA12CA14TSHRDPP4BIRC2
SCHEMBL2491150 0.86 DPP4 (0.50) CA12CA14TSHRDPP4BIRC2
SCHEMBL7348800 0.86 DPP4 (0.50) CA12CA14TSHRDPP4BIRC2
Hydrochloric Acid SCHEMBL7324906 0.84 DPP4 (0.48) CA12CA14TSHRDPP4BIRC2
Hydrochloric Acid SCHEMBL7321497 0.84 DPP4 (0.48) CA12CA14TSHRDPP4BIRC2
SCHEMBL10792345 0.83 CA12 (0.52) CA12CA14TSHRBIRC2SMN1; SMN2
SCHEMBL10792348 0.83 CA12 (0.52) CA12CA14TSHRBIRC2SMN1; SMN2
SCHEMBL7354071 0.82 DPP4 (0.47) CA12CA14TSHRDPP4BIRC2
SCHEMBL30698098 0.82 DPP4 (0.41) DPP4BIRC2
SCHEMBL25650702 0.82 DPP4 (0.51) CA12CA14TSHRDPP4BIRC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120025283-A Amide compound and application thereof 成都地奥制药集团有限公司 2025-05-23 CN disclosed
CN-119638780-A Nitrogen-containing compound, preparation method and application thereof 成都地奥制药集团有限公司 2025-03-18 CN disclosed
CN-119529020-A Nitrogen-containing heterocyclic compound, and preparation method and application thereof 成都地奥制药集团有限公司 2025-02-28 CN disclosed
CN-119504546-A Lactam ring compounds and uses thereof 成都地奥制药集团有限公司 2025-02-25 CN disclosed
CN-113831391-B Dipeptide compound capable of exerting rapid antidepressant effect and application thereof 南京医科大学 2023-10-13 CN disclosed
CN-112898224-B Allyl alcohol-supported macrolide compound and application thereof 中国科学院上海药物研究所 2023-02-17 CN disclosed
US-20100261914-A1 IAP BINDING COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-10-14 US disclosed
US-20100261914-A1 IAP BINDING COMPOUNDS THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-10-14 US disclosed
CN-101235078-B Method for generating amido bond UNIV XIAMEN 2010-08-25 CN disclosed
US-7718600-B2 IAP binding compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-05-18 US disclosed
US-7718600-B2 IAP binding compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2010-05-18 US disclosed
CN-101235078-A Method for generating amido bond UNIV XIAMEN (CN) 2008-08-06 CN disclosed
US-20070032437-A1 that bind cellular inhibitor of apoptosis proteins; drug design and development for diagnosis, prevention and treatment of cell proliferative disease; anticarcinogenic agents THE TRUSTEES OF PRINCETON UNIVERSITY 2007-02-08 US disclosed
US-20070032437-A1 that bind cellular inhibitor of apoptosis proteins; drug design and development for diagnosis, prevention and treatment of cell proliferative disease; anticarcinogenic agents THE TRUSTEES OF PRINCETON UNIVERSITY 2007-02-08 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 (2 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-20070032437-A1 that bind cellular inhibitor of apoptosis proteins; drug design and development for diagnosis, prevention and treatment of cell proliferative disease; anticarcinogenic agents BIRC3, API5, BID CA12 3086/4885CA14 2586/4885TSHR 2561/4885
US-20100261914-A1 IAP BINDING COMPOUNDS BIRC3, BIRC5, BIRC2 CA12 4357/4885CA14 4274/4885TSHR 3240/4885

“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.