SCHEMBL1967430

SCHEMBL1967430

CS(=O)(=O)c1cc[c]c(Cl)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
CCR2 P41597 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3835239 0.82 L3MBTL1 (0.33) PTGS2KDM4EALDH1A1RAB9ACCR2
SCHEMBL27933853 0.82 L3MBTL1 (0.33) CCR2L3MBTL1
SCHEMBL693707 0.79
SCHEMBL5527634 0.79 CA2 (0.39) PTGS2L3MBTL1
SCHEMBL8376884 0.77 PTGS2 (0.36) PTGS2KDM4EALDH1A1L3MBTL1
SCHEMBL8679937 0.76 CCR2 (0.32) PTGS2CCR2
SCHEMBL1045997 0.75 RAB9A (0.37) PTGS2KDM4EALDH1A1RAB9ACCR2
SCHEMBL8682887 0.72 KIF11 (0.35) PTGS2
SCHEMBL8679094 0.72 TRPV4 (0.32) RAB9A
SCHEMBL14686215 0.71 ESR2 (0.38) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005016883-A2 ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-02-24 WO claimed
EP-2334683-B1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS MSD ITALIA SRL (IT) 2017-03-22 EP disclosed
US-8470823-B2 Saturated bicyclic heterocyclic derivatives as SMO antagonists INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.R.L. (IT) 2013-06-25 US disclosed
US-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Instituto di Ricerche di Biologia Molecolare P. Ang 2011-07-28 US disclosed
EP-2334683-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Istituto di ricerche di Biologia Molecolare P. Angeletti S.R.L. (IT) 2011-06-22 EP disclosed
WO-2010023480-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-03-04 WO disclosed
CN-1159800-A 2-aroylcyclohexanediones, preparation and use as herbicides or plant growth regulators BASF AG (DE) 1997-09-17 CN 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 (1 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-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS SMO, SHH, GLI1 PTGS2 1023/4885KDM4E 3280/4885ALDH1A1 1864/4885

“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.