SCHEMBL3745838

SCHEMBL3745838

ClCc1ccc(Cl)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.38
TTR P02766 2/20 0.37
ABL1 P00519 1/20 0.37
PNMT P11086 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
AHR P35869 2/20 0.34
NOTUM Q6P988 2/20 0.34
TSHR P16473 2/20 0.33
GPR84 Q9NQS5 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CSNK2A1 P68400 1/20 0.32
CYP3A4 P08684 1/20 0.32
CCR2 P41597 1/20 0.32
CCR5 P51681 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL30488129 0.81 CYP4F2 (0.43) IDO1ABL1PNMTTAAR1AHR
SCHEMBL1535743 0.81 IDO1 (0.38) IDO1TTRPNMTTAAR1AHR
SCHEMBL507167 0.81 CYP4F2 (0.43) IDO1ABL1PNMTTAAR1AHR
SCHEMBL11019831 0.80 PTPRC (0.34) TTRTSHR
SCHEMBL1363230 0.79 CSNK2A1 (0.46) IDO1PNMTTAAR1CSNK2A1
SCHEMBL11947198 0.79 IDO1 (0.37) IDO1ABL1PNMTTAAR1AHR
SCHEMBL263603 0.79 NOTUM (0.44) IDO1TTRABL1PNMTTAAR1
SCHEMBL18644044 0.79 IDO1 (0.37) IDO1ABL1PNMTTAAR1AHR
SCHEMBL12188730 0.79 ABL1 (0.43) IDO1ABL1PNMTTAAR1TSHR
SCHEMBL29086995 0.79 IDO1 (0.64) IDO1ABL1PNMTTAAR1AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1797083-A1 SULFONAMIDE COMPOUNDS Janssen Pharmaceutica, N.V. (BE) 2007-06-20 EP disclosed
WO-2006036670-A1 SULFONAMIDE COMPOUNDS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 WO 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 IDO1 3043/4885TTR 3967/4885ABL1 2109/4885
US-20100292240-A1 SULFONAMIDE COMPOUNDS CCKAR, CCKBR, TAS1R2 IDO1 3885/4885TTR 4805/4885ABL1 1777/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 IDO1 3885/4885TTR 4805/4885ABL1 1777/4885

“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.