SCHEMBL16595606

SCHEMBL16595606

O=C(O)C(F)(F)c1cc2cc(Cl)ccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 7/20 0.42
HDAC6 Q9UBN7 1/20 0.38
BCKDK O14874 1/20 0.37
MCL1 Q07820 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
AKR1B1 P15121 1/20 0.36
CHRNA7 P36544 2/20 0.35
HTR3A P46098 2/20 0.35
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DYRK1A Q13627 1/20 0.33
FSCN1 Q16658 1/20 0.33
CMA1 P23946 1/20 0.33

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
SCHEMBL16595612 0.82 MEN1 (0.39) HDAC6BCKDKAKR1B1CHRNA7HTR3A
SCHEMBL16595605 0.79 ABCB11 (0.42) PPARAHDAC6ALDH1A1TSHRSMN1; SMN2
SCHEMBL3624705 0.78 BCL2L1 (0.53) HDAC6DYRK1A
SCHEMBL16595641 0.74 PPARA (0.54) PPARAHDAC6AKR1B1SMN1; SMN2
SCHEMBL740202 0.73 BCL2L1 (0.59) BCKDKMCL1RXFP1CHRNA7HTR3A
SCHEMBL29742302 0.73 BCL2L1 (0.59) BCKDKMCL1RXFP1CHRNA7HTR3A
SCHEMBL17342267 0.72 SMN1; SMN2 (0.40) PPARACHRNA7HTR3AALDH1A1SMN1; SMN2
SCHEMBL16595347 0.71 CYP2A6 (0.41) CHRNA7F7F3ALDH1A1TP53
SCHEMBL17267445 0.69 CHRNA7 (0.46) HDAC6CHRNA7HTR3ADYRK1A
SCHEMBL5966782 0.69 AKR1B1 (0.55) HDAC6BCKDKMCL1RXFP1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed
EP-3046920-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2021-08-04 EP disclosed
US-10927092-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARM INC (US) 2021-02-23 US disclosed
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARM INC (US) 2019-08-29 US disclosed
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARMACEUTICAL INC. (US) 2019-03-12 US disclosed
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 (4 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-10927092-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 PPARA 2895/4885HDAC6 236/4885BCKDK 2034/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 PPARA 2895/4885HDAC6 236/4885BCKDK 2034/4885
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 PPARA 2895/4885HDAC6 236/4885BCKDK 2034/4885
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 PPARA 2895/4885HDAC6 236/4885BCKDK 2034/4885

“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.