SCHEMBL3741608

SCHEMBL3741608

C[C@@H](C(=O)O)[C@@H](O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ FFAR2 O15552 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ ADRB2 P07550 1/20 0.43
▸ CYP2C19 P33261 4/20 0.42
▸ CYP2C9 P11712 4/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GABBR2 O75899 3/20 0.41
▸ GABBR1 Q9UBS5 3/20 0.41
▸ TSHR P16473 3/20 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
SCHEMBL7981718 1.00 POLB (0.46) POLBBRD4FFAR2SLC6A2SLC6A4
SCHEMBL14049274 0.85 BRD4 (0.43) POLBBRD4FFAR2SLC6A2SLC6A4
SCHEMBL17451234 0.82 POLB (0.47) POLBBRD4FFAR2ADRB2CYP2C19
SCHEMBL8001841 0.81 LMNA (0.56) POLBCYP2C19CYP2C9CYP2D6MEN1
SCHEMBL17702817 0.81 LMNA (0.56) POLBCYP2C19CYP2C9CYP2D6MEN1
SCHEMBL12313665 0.81 LMNA (0.56) POLBCYP2C19CYP2C9CYP2D6MEN1
SCHEMBL8209874 0.81 LMNA (0.56) POLBCYP2C19CYP2C9CYP2D6MEN1
SCHEMBL8001842 0.81 LMNA (0.56) POLBCYP2C19CYP2C9CYP2D6MEN1
SCHEMBL12265956 0.81 LMNA (0.56) POLBCYP2C19CYP2C9CYP2D6MEN1
SCHEMBL16967416 0.78 ADRB2 (0.52) POLBBRD4FFAR2ADRB2CYP2C19

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 5 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
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 POLB 4029/4885BRD4 732/4885FFAR2 254/4885
US-20100292240-A1 SULFONAMIDE COMPOUNDS CCKAR, CCKBR, TAS1R2 POLB 4649/4885BRD4 493/4885FFAR2 1275/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 POLB 4649/4885BRD4 493/4885FFAR2 1275/4885

“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.

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