SCHEMBL3450185

SCHEMBL3450185

COc1cc(C)c(S(=O)(=O)NCCCC[C@H](N)C(=O)O)c(C)c1C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.53
FABP4 P15090 3/20 0.44
AVPR1B P47901 6/20 0.44
AVPR1A P37288 6/20 0.43
NMT1 P30419 2/20 0.41

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
SCHEMBL18468371 0.82 AVPR1B (0.45) F2AVPR1BAVPR1ANMT1
SCHEMBL29548938 0.80 F2 (0.45) F2AVPR1B
SCHEMBL13940302 0.75 NMT1 (0.51) F2AVPR1BAVPR1ANMT1
SCHEMBL32679729 0.74 NOS3 (0.43) F2AVPR1BAVPR1A
SCHEMBL28468784 0.74 NOS3 (0.43) F2AVPR1BAVPR1A
SCHEMBL4526256 0.74 F2 (0.60) F2AVPR1BAVPR1ANMT1
SCHEMBL24136539 0.74 AVPR1B (0.43) F2AVPR1BAVPR1ANMT1
SCHEMBL22139318 0.74 AVPR1B (0.43) F2AVPR1BAVPR1ANMT1
SCHEMBL30038580 0.74 AVPR1B (0.43) F2AVPR1BAVPR1ANMT1
SCHEMBL13017224 0.73 F2 (0.47) F2FABP4AVPR1BAVPR1ANMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753619-A CYCLIC HEPTAPEPTIDES FOR CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INSUSTRIES, LTD. (JP) 1998-05-19 US claimed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP claimed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 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
US-20020168337-A1 Sustained-release preparation TAKADA CHEMICAL INDUSTRIES LTD. 2002-11-14 US disclosed
US-20020058622-A1 Sustained-release preparation IGARI YASUTAKA (JP) 2002-05-16 US disclosed
US-6376461-B1 WATER INSOLUBLE OR SLIGHTLY WATER SOLUBLE POLYVALENT METAL SALT OF A GROWTH HORMONE, AND A BIODEGRADABLE POLYMER; ENDOTHELIN ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-04-23 US disclosed
US-6251861-B1 CYCLO(D-ASP-ASP(R1)-ASP-D-THG(2)-LEU-TRP) DISODIUM SALT, WHERE ASP(R1) IS AN ASPARTIC ACID BETA-4-PHENYLPIPERAZINE AMIDE RESIDUE AND THG(2) IS 2-(2-THIENYL)GLYCINE; ANTI-ENDOTHELIN ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-26 US disclosed
US-6147051-A ANTIISCHEMIC AGENT TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2000-11-14 US disclosed
US-6087324-A A WATER-INSOLUBLE OR A SLIGHTLY WATER-SOLUBLE POLYVALENT METAL SALT OF A WATER-SOLUBLE PHYSIOGICALLY ACTIVE PEPTIDE WHICH IS NOT AN ENDOTHELIN ANTAGONIST, AND A BIODEGRADABLE POLYMER SUCH AS COPOLYMER OF GLYCOLIC AND LACTIC ACID TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-07-11 US disclosed
US-5753619-A CYCLIC HEPTAPEPTIDES FOR CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INSUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0815870-A2 Composition for prohylaxis or treatment of cerebral infarction Takeda Chemical Industries, Ltd. (JP) 1998-01-07 EP disclosed
EP-0528312-B1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-07-16 EP disclosed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP disclosed
EP-0655463-A1 Cyclic hexapeptides having endothelin antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-31 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 (3 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 F2 1554/4885FABP4 3117/4885AVPR1B 13/4885
US-20020058622-A1 Sustained-release preparation EDNRA, EDNRB, ORAI1 F2 1554/4885FABP4 3117/4885AVPR1B 13/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 F2 1/4885FABP4 4822/4885AVPR1B 1003/4885

“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.