SCHEMBL11300017

SCHEMBL11300017

COc1ccc(CNS(=O)(=O)CCCCl)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.55
▸ APLNR P35414 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TSHR P16473 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 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
SCHEMBL22537210 0.87 APLNR (0.54) TP53APLNRSMN1; SMN2TSHRALDH1A1
SCHEMBL20530830 0.87 APLNR (0.54) TP53APLNRSMN1; SMN2TSHRALDH1A1
SCHEMBL28970344 0.85 APLNR (0.58) TP53APLNRSMN1; SMN2TSHRALDH1A1
SCHEMBL28452492 0.83 APLNR (0.63) TP53APLNRSMN1; SMN2TSHRALDH1A1
SCHEMBL11954292 0.82 TP53 (0.46) TP53APLNRSMN1; SMN2HTR2AHTR2C
SCHEMBL22537209 0.82 APLNR (0.57) TP53APLNRSMN1; SMN2TSHRALDH1A1
SCHEMBL11295823 0.81 APLNR (0.47) TP53APLNRSMN1; SMN2ALDH1A1HTR2A
SCHEMBL12525710 0.80 APLNR (0.49) TP53APLNRSMN1; SMN2ALDH1A1HTR2A
SCHEMBL12492811 0.80 ALDH1A1 (0.53) TP53APLNRSMN1; SMN2ALDH1A1MAPT
SCHEMBL6831298 0.79 HTT (0.55) SMN1; SMN2TSHRALDH1A1

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 9 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-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-8759334-B2 Compounds useful for the treatment of metabolic and inflammatory diseases GALAPAGOS NV (BE) 2014-06-24 — — US disclosed
EP-2665704-A1 AZETIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES Galapagos NV (BE) 2013-11-27 — — EP disclosed
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2013-11-14 — — 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
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 1120/4885SMN1; SMN2 3302/4885
US-20130303515-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF METABOLIC AND INFLAMMATORY DISEASES GOT2, GPR119, PC TP53 4649/4885APLNR 1120/4885SMN1; SMN2 3302/4885

“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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