SCHEMBL6182299

SCHEMBL6182299

O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 6/20 0.77
PTPN1 P18031 4/20 0.70
PPARG P37231 3/20 0.69
ITGB3 P05106 1/20 0.69
ITGA2B P08514 1/20 0.69
GPR34 Q9UPC5 4/20 0.65
MME P08473 1/20 0.63
ACE P12821 1/20 0.63
CPA1 P15085 1/20 0.63
ACE2 Q9BYF1 1/20 0.63
CMKLR2 P46091 1/20 0.62
CMKLR1 Q99788 1/20 0.62
PTPN2 P17706 1/20 0.61
CDC25B P30305 1/20 0.61

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
SCHEMBL27871431 1.00 GPR132 (0.77) GPR132PTPN1PPARGITGB3ITGA2B
SCHEMBL1123232 0.97 GPR132 (0.77) GPR132PTPN1PPARGITGB3ITGA2B
SCHEMBL1123299 0.97 GPR132 (0.77) GPR132PTPN1PPARGITGB3ITGA2B
SCHEMBL1123033 0.97 GPR132 (0.77) GPR132PTPN1PPARGITGB3ITGA2B
SCHEMBL27658914 0.97 GPR132 (0.77) GPR132PTPN1PPARGITGB3ITGA2B
SCHEMBL1122757 0.96 GPR132 (0.78) GPR132PTPN1PPARGITGB3ITGA2B
SCHEMBL5927205 0.94 GPR132 (0.72) GPR132PTPN1PPARGITGB3ITGA2B
SCHEMBL1123243 0.94 GPR132 (0.72) GPR132PTPN1PPARGITGB3ITGA2B
SCHEMBL1122833 0.94 GPR132 (0.72) GPR132PTPN1PPARGITGB3ITGA2B
SCHEMBL1123309 0.93 GPR132 (0.71) GPR132PTPN1PPARGITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161415-B1 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2005-07-13 EP disclosed
US-6593327-B2 N-cyanomethyl amides which are cysteine protease inhibitors; treating osteoporosis; mixtures with bisphosphonates AXYS PHARMACEUTICALS, INC. 2003-07-15 US disclosed
US-20030119788-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-06-26 US disclosed
US-6476026-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-11-05 US disclosed
US-20020086996-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 US disclosed
EP-1161415-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055126-A2 N-CYANOMETHYLAMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed
US-4742067-A Acylalkylaminocarbonyl substituted amino and imino acid compounds E. R. SQUIBB & SONS, INC. (US) 1988-05-03 US disclosed
US-4736066-A Intermediate for substituted peptide compounds E. R. SQUIBB & SONS, INC. (US) 1988-04-05 US disclosed
US-4621092-A HYPOTENSIVE, ANALGESIC E. R. SQUIBB & SONS, INC. (US) 1986-11-04 US disclosed
US-4604402-A HYPOTENSIVE AGNETS E. R. SQUIBB & SONS, INC. (US) 1986-08-05 US disclosed
EP-0159156-A1 Hydroxy substituted ureido amino and imino acids E.R. Squibb & Sons, Inc. (US) 1985-10-23 EP disclosed
US-4535176-A HYPOTENSIVE AGENTS, ANALGESICS, ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1985-08-13 US disclosed
US-4470973-A HYPOTENSIVE AGENTS, ANALGESICS E. R. SQUIBB & SONS, INC. (US) 1984-09-11 US disclosed
EP-0103496-A1 Acylalkylaminocarbonyl substituted amino and imino acid compounds E.R. Squibb & Sons, Inc. (US) 1984-03-21 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 (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-20020086996-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 GPR132 4535/4885PTPN1 1580/4885PPARG 4602/4885
US-20030119788-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 GPR132 4535/4885PTPN1 1580/4885PPARG 4602/4885

“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.