SCHEMBL3431054

SCHEMBL3431054

CSC1=NC(=O)C(=Cc2ccc(F)c(C)c2O)S1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ MAPT P10636 4/20 0.50
▸ POLB P06746 2/20 0.50
▸ GLA P06280 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ PTGS1 P23219 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MYC P01106 1/20 0.46
▸ MAX P61244 1/20 0.46
▸ MCL1 Q07820 1/20 0.40
▸ ALOX5 P09917 3/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ HPGD P15428 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ MITF O75030 1/20 0.37
▸ LMNA P02545 1/20 0.37

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
SCHEMBL3431049 1.00 KMT2A (0.50) KMT2AALDH1A1MAPTPOLBGLA
SCHEMBL3425952 0.78 MAPT (0.51) KMT2AALDH1A1MAPTPOLBGLA
SCHEMBL4349225 0.75 KMT2A (0.51) KMT2AALDH1A1MAPTPOLBGLA
SCHEMBL3400659 0.75 KMT2A (0.51) KMT2AALDH1A1MAPTPOLBGLA
SCHEMBL3404378 0.73 PTGS1 (0.48) KMT2AALDH1A1MAPTPOLBGLA
SCHEMBL3404375 0.73 PTGS1 (0.48) KMT2AALDH1A1MAPTPOLBGLA
SCHEMBL3402932 0.72 PTGS1 (0.50) KMT2AALDH1A1MAPTPOLBGLA
SCHEMBL3402936 0.72 PTGS1 (0.50) KMT2AALDH1A1MAPTPOLBGLA
SCHEMBL17413661 0.71 MAPT (0.75) KMT2AALDH1A1MAPTPOLBGLA
SCHEMBL13629849 0.70 MEN1 (0.50) KMT2AALDH1A1MAPTGAAALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250167-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS Chlorion Pharma, Inc. (CA) 2010-11-17 — — EP disclosed
US-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS UNIVERSITE LAVAL (CA) 2009-11-05 — — US disclosed
WO-2009097695-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS CHLORION PHARMA, INC. (CA) 2009-08-13 — — 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 (1 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-20090275538-A1 ARYLMETHYLIDENE HETEROCYCLES AS NOVEL ANALGESICS OPRL1, OPRK1, AHR KMT2A 1752/4885ALDH1A1 211/4885MAPT 3804/4885

“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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