SCHEMBL20523637

SCHEMBL20523637

CCCS(=O)(=O)Nc1cc(Br)cc(Cl)c1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NMT1 P30419 3/20 0.38
BRAF P15056 8/20 0.37
GPR35 Q9HC97 1/20 0.37
PTGES2 Q9H7Z7 2/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL20523568 0.86 BRD4 (0.45) BRD4PTGS1PTGS2CYP3A4CYP2C9
SCHEMBL20523433 0.83 CYP3A4 (0.47) BRD4CYP3A4CYP2C9CYP2C19BRAF
SCHEMBL20523624 0.82 RIPK2 (0.43) BRD4PTGS1PTGS2CYP3A4CYP2C9
SCHEMBL20523444 0.81 NOD2 (0.43) BRD4PTGS1PTGS2CYP3A4CYP2C9
SCHEMBL21630381 0.78 RIPK2 (0.47) BRAFALDH1A1
SCHEMBL31388990 0.78 CYP3A4 (0.45) BRD4PTGS1PTGS2CYP3A4CYP2C9
SCHEMBL20523628 0.76 BRD4 (0.48) BRD4PTGS1PTGS2CYP3A4CYP2C9
SCHEMBL3115274 0.76 PTGS1 (0.41) BRD4PTGS1PTGS2CYP3A4CYP2C9
SCHEMBL20523631 0.75 RIPK2 (0.43) BRD4PTGS1PTGS2CYP3A4CYP2C9
SCHEMBL20523613 0.73 ALDH1A1 (0.41) BRD4PTGS1PTGS2CYP3A4CYP2C9

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-11135209-B2 Compositions and methods for inhibiting protein kinases UNIVERSITY OF HOUSTON SYSTEM (US) 2021-10-05 US disclosed
EP-3600307-B1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIV HOUSTON SYSTEM (US) 2021-05-05 EP disclosed
EP-3600307-A1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES University of Houston System (US) 2020-02-05 EP disclosed
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2020-01-30 US disclosed
WO-2018183633-A1 COMPOSITIONS FOR USE IN METHODS OF INHIBITING PROTEIN KINASES UNIVERSITY OF HOUSTON SYSTEM (US) 2018-10-04 WO 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-11135209-B2 Compositions and methods for inhibiting protein kinases RIPK2, RIPK1, NOD2 BRD4 2174/4885PTGS1 3294/4885PTGS2 1947/4885
US-20200030303-A1 COMPOSITIONS AND METHODS FOR INHIBITING PROTEIN KINASES RIPK2, RIPK1, NOD2 BRD4 2174/4885PTGS1 3294/4885PTGS2 1947/4885

“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.