SCHEMBL4513593

SCHEMBL4513593

Cc1cc(C)c(S([NH])(=O)=O)c(C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP8 P22894 1/20 0.52
MMP13 P45452 1/20 0.52
RAPGEF4 Q8WZA2 7/20 0.50
F2 P00734 3/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47
NPSR1 Q6W5P4 2/20 0.44
GAA P10253 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.41
MAPK1 P28482 1/20 0.39
CYTH2 Q99418 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL2047218 0.78 RAPGEF4 (0.67) CA1CA2MMP1MMP2MMP9
SCHEMBL21117641 0.78 CA1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL3241201 0.77 RAPGEF4 (0.46) RAPGEF4TSHRALDH1A1HTTLMNA
SCHEMBL8271353 0.76 CA1 (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL330754 0.76 CA1 (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL16140106 0.74 CA1 (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL113366 0.74 CA1 (0.52) CA1CA2MMP1MMP2MMP9
SCHEMBL10846507 0.74 CA1 (0.58) CA1CA2MMP1MMP2MMP9
SCHEMBL23788 0.74 CA1 (0.58) CA1CA2MMP1MMP2MMP9
SCHEMBL7555257 0.74 CYP1A2 (0.39) CA1CA2POLBTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US claimed
EP-1417190-B1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-10-22 EP claimed
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP claimed
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP claimed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US claimed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US claimed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US claimed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP claimed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP claimed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US claimed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US claimed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO claimed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO claimed
US-20020065271-A1 Novel sulfonamide derivatives as inhibitors of bone resorption and as inhibitors of cell adhesion PEYMAN ANUSCHIRWAN (DE) 2002-05-30 US claimed
US-6313119-B1 VITRONECTIN RECEPTOR ANTAGONISTS ADVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-11-06 US claimed
EP-1049677-A1 NOVEL SULFONAMIDE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS INHIBITORS OF CELL ADHESION Aventis Pharma Deutschland GmbH (DE) 2000-11-08 EP claimed
WO-1999037621-A1 NOVEL SULFONAMIDE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS INHIBITORS OF CELL ADHESION AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 1999-07-29 WO claimed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 EP disclosed
EP-0191989-A1 Antibiotic isoxazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-08-27 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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R CA1 4542/4885CA2 3148/4885MMP1 2051/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R CA1 4542/4885CA2 3148/4885MMP1 2051/4885
US-20020065271-A1 Novel sulfonamide derivatives as inhibitors of bone resorption and as inhibitors of cell adhesion SOST, SELPLG, BST2 CA1 957/4885CA2 667/4885MMP1 332/4885
US-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R CA1 4656/4885CA2 3303/4885MMP1 2001/4885

“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.