SCHEMBL1160320

SCHEMBL1160320

O=C(NS(=O)(=O)c1ccccc1)c1cccc2c1nc(Cc1ccccc1)n2Cc1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.47
CCR2 P41597 1/20 0.46
TP53 P04637 2/20 0.46
FLT1 P17948 2/20 0.43
FLT4 P35916 2/20 0.43
KDR P35968 2/20 0.43
AGTR2 P50052 1/20 0.43
EGFR P00533 1/20 0.42
PPARG P37231 4/20 0.42
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL1160437 0.92 FLT1 (0.50) CCR2TP53FLT1FLT4KDR
SCHEMBL1160053 0.85 ALOX5AP (0.49) ALOX5APCCR2TP53FLT1FLT4
SCHEMBL1160318 0.81 TP53 (0.51) ALOX5APCCR2TP53PPARGCNR1
SCHEMBL1160351 0.81 TP53 (0.51) ALOX5APCCR2TP53AGTR2PPARG
SCHEMBL1160410 0.79 EGFR (0.53) CCR2FLT1FLT4KDRAGTR2
SCHEMBL1160211 0.78 AGTR2 (0.50) CCR2FLT1FLT4KDRAGTR2
SCHEMBL1160145 0.78 AGTR2 (0.54) CCR2AGTR2EGFRPPARG
SCHEMBL1160397 0.77 FLT1 (0.53) CCR2FLT1FLT4KDREGFR
Hydrochloric Acid SCHEMBL6171228 0.77 FLT1 (0.52) CCR2FLT1FLT4KDREGFR
SCHEMBL1160106 0.76 AGTR2 (0.49) CCR2AGTR2EGFRPPARGMEN1

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
WO-2011014600-A1 METHODS OF TREATING NEUROPATHIC PAIN WITH BENZIMIDAZOLE DERIVATIVE AGONISTS OF PPARGAMMA AESTUS THERAPEUTICS, INC. (US) 2011-02-03 WO disclosed
US-20110028527-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma AESTUS THERAPEUTICS, INC. (US) 2011-02-03 US 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-6211177-B1 SIDE EFFECT REDUCTION CELL PATHWAYS, INC. 2001-04-03 US disclosed
US-6166219-A Benzimidazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US 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 ALOX5AP 789/4885CCR2 618/4885TP53 2963/4885
US-20110028527-A1 Methods of Treating Neuropathic Pain with Benzimidazole Derivative Agonists of PPARgamma PPARG, PPARA, PPARD ALOX5AP 789/4885CCR2 618/4885TP53 2963/4885

“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.