SCHEMBL1509780

SCHEMBL1509780

COc1cc(C)c(S(=O)(=O)NC(CCCNC(=N)N)C(=O)O)c(C)c1C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 7/20 0.54
AVPR1A P37288 7/20 0.47
PLG P00747 1/20 0.46
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
BMP1 P13497 1/20 0.43
F2 P00734 1/20 0.43

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
SCHEMBL1509781 1.00 AVPR1B (0.54) AVPR1BAVPR1APLGITGB3ITGA2B
SCHEMBL30007346 1.00 AVPR1B (0.54) AVPR1BAVPR1APLGITGB3ITGA2B
SCHEMBL7898282 1.00 AVPR1B (0.54) AVPR1BAVPR1APLGITGB3ITGA2B
SCHEMBL9329697 0.93 AVPR1B (0.52) AVPR1BAVPR1APLGBMP1F2
Phenylalanine SCHEMBL6286710 0.90 AVPR1B (0.59) AVPR1BAVPR1APLGBMP1F2
SCHEMBL2873083 0.88 AVPR1B (0.48) AVPR1BAVPR1APLGBMP1F2
SCHEMBL1738663 0.88 AVPR1B (0.52) AVPR1BAVPR1APLGBMP1
SCHEMBL29816989 0.88 AVPR1B (0.48) AVPR1BAVPR1APLGBMP1F2
SCHEMBL3501647 0.87 AVPR1B (0.47) AVPR1BAVPR1APLGBMP1F2
SCHEMBL7368157 0.87 AVPR1B (0.47) AVPR1BAVPR1APLGBMP1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897721-B2 Cyclic peptide compositions for treatment of sexual dysfunction PALATIN TECHNOLOGIES, INC. (US) 2011-03-01 US disclosed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-7795378-B2 Peptide compositions for treatment of sexual dysfunction PALATIN TECHNOLOGIES, INC. (US) 2010-09-14 US disclosed
US-20100121027-A1 Cyclic Peptide Compositions for Treatment of Sexual Dysfunction PALATIN TECHNOLOGIES, INC. (US) 2010-05-13 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed
EP-1667700-A2 CYCLIC PEPTIDE COMPOSITIONS AND METHODS FOR TREATMENT OF SEXUAL DYSFUNCTION Palatin Technologies, Inc. (US) 2006-06-14 EP disclosed
US-20050124553-A1 Peptide compositions for treatment of sexual dysfunction PALATINE TECHNOLOGIES, INC. (US) 2005-06-09 US disclosed
WO-2005014617-A2 CYCLIC PEPTIDE COMPOSITIONS AND METHODS FOR TREATMENT OF SEXUAL DYSFUNCTION PALATIN TECHNOLOGIES, INC. (US) 2005-02-17 WO disclosed
US-20020168337-A1 Sustained-release preparation TAKADA CHEMICAL INDUSTRIES LTD. 2002-11-14 US disclosed
EP-0822939-A1 CYCLIC PENTAPEPTIDE LH-RH RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 1998-02-11 EP disclosed
EP-0815870-A2 Composition for prohylaxis or treatment of cerebral infarction Takeda Chemical Industries, Ltd. (JP) 1998-01-07 EP disclosed
CN-1164192-A Inhibitors of heterogeneously catalyzed proteases CEPHALON INC (US) 1997-11-05 CN disclosed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP disclosed
WO-1996034012-A1 CYCLIC PENTAPEPTIDE LH-RH RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-10-31 WO disclosed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP disclosed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 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 (4 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-20020168337-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 AVPR1B 13/4885AVPR1A 15/4885PLG 230/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 AVPR1B 1003/4885AVPR1A 1073/4885PLG 2094/4885
US-20050124553-A1 Peptide compositions for treatment of sexual dysfunction RXFP1, EDNRB, EDNRA AVPR1B 31/4885AVPR1A 40/4885PLG 1543/4885
US-20100121027-A1 Cyclic Peptide Compositions for Treatment of Sexual Dysfunction VIP, GNRHR, NPR1 AVPR1B 12/4885AVPR1A 15/4885PLG 2671/4885

“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.