SCHEMBL16595668

SCHEMBL16595668

O=C(O)C(F)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
GPR35 Q9HC97 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALOX5 P09917 1/20 0.52
MAOB P27338 3/20 0.49
KMT2A Q03164 3/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
BCAT1 P54687 1/20 0.44
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.43
HRH4 Q9H3N8 1/20 0.42

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
SCHEMBL16595657 0.80 ALOX5 (0.49) KDM4EGPR35ALDH1A1CYP1A2CYP2C9
SCHEMBL29526778 0.73 PIM1 (0.64) KDM4EGPR35ALDH1A1CYP1A2CYP2C9
SCHEMBL705754 0.73 PIM1 (0.64) KDM4EGPR35ALDH1A1CYP1A2CYP2C9
SCHEMBL11346189 0.72 ALOX5 (0.57) KDM4EGPR35ALDH1A1CYP1A2CYP2C9
SCHEMBL657858 0.72 KMT2A (0.48) KDM4EGPR35ALDH1A1CYP1A2CYP2C9
SCHEMBL12248487 0.72 ALOX5 (0.56) KDM4EGPR35ALDH1A1CYP1A2CYP2C9
SCHEMBL9202393 0.72 GABBR2 (0.54) KDM4EGPR35ALDH1A1CYP1A2CYP2C9
SCHEMBL10363719 0.71 KMT2A (0.56) KDM4EGPR35ALDH1A1CYP1A2CYP2C9
SCHEMBL16595672 0.71 ALOX5 (0.52) KDM4EGPR35ALDH1A1CYP1A2CYP2C9
SCHEMBL3417161 0.70 MAOB (0.50) KDM4EGPR35ALDH1A1CYP1A2CYP2C9

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
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2016-08-11 US disclosed
WO-2015042397-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2015-03-26 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 (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-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 KDM4E 4557/4885GPR35 1792/4885ALDH1A1 1342/4885

“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.