SCHEMBL3753534

SCHEMBL3753534

C[C@@H](C(=O)N1C(=O)OCC1Cc1ccccc1)[C@@H](O)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 1/20 0.45
PPARA Q07869 3/20 0.44
IDH1 O75874 7/20 0.40
AGTR2 P50052 1/20 0.37
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
NAAA Q02083 2/20 0.36
SLC6A9 P48067 2/20 0.36
PTGES O14684 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL3753536 1.00 IL6ST (0.45) IL6STPPARAIDH1AGTR2LTB4R
SCHEMBL17700747 0.89 PPARA (0.46) IL6STPPARAIDH1AGTR2LTB4R
SCHEMBL16294896 0.89 PPARA (0.46) IL6STPPARAIDH1AGTR2LTB4R
SCHEMBL16307092 0.89 PPARA (0.46) IL6STPPARAIDH1AGTR2LTB4R
SCHEMBL13617819 0.87 PPARA (0.42) IL6STPPARAIDH1AGTR2LTB4R
SCHEMBL613402 0.86 PPARA (0.42) IL6STPPARAIDH1AGTR2LTB4R
SCHEMBL2754727 0.86 PPARA (0.42) IL6STPPARAIDH1AGTR2LTB4R
SCHEMBL613403 0.86 PPARA (0.42) IL6STPPARAIDH1AGTR2LTB4R
SCHEMBL24418522 0.83 IL6ST (0.52) IL6STPPARAIDH1AGTR2CSNK2B
SCHEMBL3754520 0.83 IL6ST (0.47) IL6STPPARAIDH1NAAA

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 IL6ST 1184/4885PPARA 595/4885IDH1 4554/4885
US-20100292240-A1 SULFONAMIDE COMPOUNDS CCKAR, CCKBR, TAS1R2 IL6ST 1375/4885PPARA 1419/4885IDH1 3318/4885
US-20060069286-A1 Sulfonamide compounds CCKAR, CCKBR, TAS1R2 IL6ST 1375/4885PPARA 1419/4885IDH1 3318/4885

“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.