SCHEMBL16595231

SCHEMBL16595231

CCOC(=O)C(F)(F)c1nc2cc(Cl)ccc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ACSS2 Q9NR19 2/20 0.44
AGPAT2 O15120 3/20 0.43
KMT2A Q03164 1/20 0.42
ADORA2B P29275 5/20 0.41
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
ABCB11 O95342 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
PMP22 Q01453 1/20 0.39
PPARA Q07869 1/20 0.39
ADORA2A P29274 1/20 0.38

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
SCHEMBL20799418 0.86 AGPAT2 (0.47) ACSS2AGPAT2KMT2ACYP1A2KDM4E
SCHEMBL28980153 0.83 ACSS2 (0.53) ACSS2CYP1A2KDM4EALDH1A1HPGD
SCHEMBL16595230 0.82 KDM4E (0.42) ACSS2AGPAT2KMT2ACYP1A2KDM4E
SCHEMBL16595666 0.78 LMNA (0.47) LMNAL3MBTL1ACSS2KMT2ACYP1A2
SCHEMBL24045477 0.76 ACSS2 (0.43) LMNAL3MBTL1ACSS2AGPAT2KMT2A
SCHEMBL17378554 0.76 KDM4E (0.45) LMNAACSS2AGPAT2KMT2ACYP1A2
SCHEMBL16595646 0.75 PPARA (0.44) LMNAL3MBTL1AGPAT2NPC1RAB9A
SCHEMBL16595229 0.74 LMNA (0.48) LMNAL3MBTL1AGPAT2KMT2AADORA2B
SCHEMBL28899796 0.72 F2 (0.43) LMNAACSS2ADORA2BCYP1A2KDM4E
SCHEMBL14330634 0.72 TSHR (0.41) LMNAL3MBTL1ACSS2KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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 LMNA 1297/4885L3MBTL1 3531/4885ACSS2 125/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 LMNA 1297/4885L3MBTL1 3531/4885ACSS2 125/4885
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 LMNA 1297/4885L3MBTL1 3531/4885ACSS2 125/4885

“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.