SCHEMBL740616

SCHEMBL740616

CC(C)(C)OC(=O)NC(CC(=O)O)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
CTSL P07711 1/20 0.44
FFAR1 O14842 6/20 0.44
MMEL1 Q495T6 2/20 0.44
TSHR P16473 1/20 0.44
AAK1 Q2M2I8 1/20 0.43
ITGB1 P05556 1/20 0.42
ITGA4 P13612 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MME P08473 1/20 0.42
FDFT1 P37268 1/20 0.41
APP P05067 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
TACR1 P25103 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
SCHEMBL740615 1.00 ATM (0.49) ATMCTSLFFAR1MMEL1TSHR
SCHEMBL1519890 1.00 ATM (0.49) ATMCTSLFFAR1MMEL1TSHR
SCHEMBL2550395 0.88 ATM (0.48) ATMCTSLTSHRAAK1CTSB
SCHEMBL2550398 0.88 ATM (0.48) ATMCTSLTSHRAAK1CTSB
SCHEMBL5757675 0.86 ATM (0.47) ATMCTSLTSHRAAK1CTSB
SCHEMBL740779 0.86 MME (0.56) ATMCTSLMMEL1CTSBCTSS
SCHEMBL740780 0.86 MME (0.56) ATMCTSLMMEL1CTSBCTSS
SCHEMBL5966601 0.86 MME (0.56) ATMCTSLMMEL1CTSBCTSS
SCHEMBL742227 0.84 CTSL (0.62) ATMCTSLMMEL1CTSBCTSS
SCHEMBL742226 0.84 CTSL (0.62) ATMCTSLMMEL1CTSBCTSS

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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed
US-7855292-B2 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-20100292240-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 US disclosed
US-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2008-06-05 US disclosed
US-7297816-B2 Sulfonamide compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-20 US disclosed
CN-101061116-A Sulfonamide compounds JANSSEN PHARMACEUTICA NV (BE) 2007-10-24 CN disclosed
US-20060069286-A1 Sulfonamide compounds JANSSEN PHARMACEUTICA, N.V. (BE) 2006-03-30 US 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-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics CCKAR, CCKBR, GRPR ATM 1774/4885CTSL 2175/4885FFAR1 346/4885
US-20100292240-A1 SULFONAMIDE COMPOUNDS CCKAR, CCKBR, TAS1R2 ATM 1287/4885CTSL 3033/4885FFAR1 2672/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 ATM 1287/4885CTSL 3033/4885FFAR1 2672/4885

“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.