SCHEMBL11954292

SCHEMBL11954292

COc1ccc(CNS(=O)(=O)CCCNc2ccc(Cl)cc2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.46
▸ APLNR P35414 1/20 0.46
▸ P2RX3 P56373 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ GAA P10253 2/20 0.40
▸ ERBB2 P04626 1/20 0.40
▸ PRKACA P17612 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ IRAK1 P51617 1/20 0.40
▸ RPS6KA3 P51812 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ CDC42BPA Q5VT25 1/20 0.40
▸ AURKB Q96GD4 1/20 0.40
▸ CSNK1G3 Q9Y6M4 1/20 0.40
▸ PTGS1 P23219 1/20 0.39

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
SCHEMBL11295823 0.87 APLNR (0.47) TP53APLNRSMN1; SMN2MEN1KMT2A
SCHEMBL15383304 0.84 TP53 (0.42) TP53APLNRP2RX3SMN1; SMN2MEN1
SCHEMBL12525710 0.83 APLNR (0.49) TP53APLNRSMN1; SMN2MEN1KMT2A
SCHEMBL11953338 0.82 APLNR (0.49) TP53APLNRSMN1; SMN2MEN1KMT2A
SCHEMBL11300017 0.82 TP53 (0.55) TP53APLNRSMN1; SMN2MEN1KMT2A
SCHEMBL11954388 0.80 SMN1; SMN2 (0.55) TP53APLNRSMN1; SMN2MEN1KMT2A
SCHEMBL20530830 0.80 APLNR (0.54) TP53APLNRSMN1; SMN2MAPTGAA
SCHEMBL22537210 0.80 APLNR (0.54) TP53APLNRSMN1; SMN2MEN1KMT2A
SCHEMBL28970344 0.78 APLNR (0.58) TP53APLNRSMN1; SMN2MAPTHTR2A
SCHEMBL24558834 0.77 PTGES2 (0.48) TP53APLNRSMN1; SMN2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2014-12-18 — — US disclosed
US-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 — — US disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 — — US disclosed
WO-2012098033-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2012-07-26 — — 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-20140371198-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC TP53 4649/4885APLNR 1120/4885P2RX3 3613/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC TP53 4649/4885APLNR 1120/4885P2RX3 3613/4885

“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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