SCHEMBL1160100

SCHEMBL1160100

O=C(NS(=O)(=O)c1ccccc1)c1ccc2nc(S)n(Cc3ccc(-c4ccccc4)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 10/20 0.47
MCL1 Q07820 10/20 0.47
CCR2 P41597 1/20 0.46
AGTR2 P50052 1/20 0.45
PTGER4 P35408 1/20 0.43
SERPINE1 P05121 2/20 0.43
PIN1 Q13526 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
PPARG P37231 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
PTPN1 P18031 1/20 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
SCHEMBL1178665 0.89 BCL2L1 (0.47) BCL2L1MCL1CCR2AGTR2PTGER4
SCHEMBL1159791 0.89 PIN1 (0.51) BCL2L1MCL1CCR2AGTR2PTGER4
SCHEMBL1160341 0.88 HDAC1 (0.55) BCL2L1MCL1CCR2AGTR2PTGER4
SCHEMBL1160354 0.88 BCL2L1 (0.47) BCL2L1MCL1CCR2AGTR2PTGER4
SCHEMBL1160120 0.88 BCL2L1 (0.47) BCL2L1MCL1CCR2AGTR2PTGER4
SCHEMBL1160209 0.87 PPARG (0.47) BCL2L1MCL1CCR2AGTR2PPARG
SCHEMBL6169486 0.87 HDAC1 (0.54) BCL2L1MCL1CCR2AGTR2PTGER4
SCHEMBL1178179 0.87 ALDH1A1 (0.48) BCL2L1MCL1CCR2AGTR2PTGER4
SCHEMBL1160142 0.87 PPARG (0.50) BCL2L1MCL1AGTR2PTGER4PPARG
SCHEMBL1160031 0.86 PPARG (0.48) BCL2L1MCL1CCR2AGTR2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140024692-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma AESTUS THERAPEUTICS, INC. (US) 2014-01-23 US disclosed
US-8563589-B2 Methods of treating neuropathic pain with benzimidazole derivative agonists of PPARgamma SAMEEVE CORP 2013-10-22 US disclosed
EP-2459192-A1 METHODS OF TREATING NEUROPATHIC PAIN WITH BENZIMIDAZOLE DERIVATIVE AGONISTS OF PPARGAMMA Aestus Therapeutics, Inc. (US) 2012-06-06 EP disclosed
US-20110028527-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma AESTUS THERAPEUTICS, INC. (US) 2011-02-03 US disclosed
WO-2011014600-A1 METHODS OF TREATING NEUROPATHIC PAIN WITH BENZIMIDAZOLE DERIVATIVE AGONISTS OF PPARGAMMA AESTUS THERAPEUTICS, INC. (US) 2011-02-03 WO disclosed
EP-0882718-B1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-08-31 EP disclosed
US-6352985-B1 CARDIOVASCULAR DISORDERS OR GASTROINTESTINAL DISORDERS, DIABETES (TYPE II DIABETES), DIABETIC COMPLICATIONS METHOD FOR LOWERING THE BLOOD SUGAR LEVEL OF A PATIENT, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-05 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
CN-1211238-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1999-03-17 CN disclosed
EP-0882718-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-12-09 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-20140024692-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma PPARG, PPARA, PPARD BCL2L1 1225/4885MCL1 3377/4885CCR2 618/4885
US-20110028527-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma PPARG, PPARA, PPARD BCL2L1 1225/4885MCL1 3377/4885CCR2 618/4885

“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.