SCHEMBL16595386

SCHEMBL16595386

O=C(O)C(=O)c1cccc(Oc2ccc(F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.57
▸ PARP14 Q460N5 4/20 0.53
▸ PARP10 Q53GL7 4/20 0.53
▸ TNKS O95271 1/20 0.53
▸ PARP15 Q460N3 1/20 0.53
▸ TNKS2 Q9H2K2 1/20 0.53
▸ PARP2 Q9UGN5 1/20 0.53
▸ HDAC8 Q9BY41 1/20 0.51
▸ ERCC5 P28715 1/20 0.51
▸ FEN1 P39748 1/20 0.51
▸ KDM2B Q8NHM5 1/20 0.49
▸ GCK P35557 1/20 0.49
▸ NR4A2 P43354 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ KMO O15229 1/20 0.49
▸ PARP1 P09874 1/20 0.48
▸ PPARG P37231 1/20 0.46
▸ CES2 O00748 2/20 0.46
▸ CES1 P23141 2/20 0.46
▸ NPC1 O15118 2/20 0.46

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
SCHEMBL29762009 0.87 AKR1C3 (0.77) AKR1C3PARP14PARP10TNKSPARP15
SCHEMBL2427519 0.87 AKR1C3 (0.77) AKR1C3PARP14PARP10TNKSPARP15
SCHEMBL16595423 0.83 CES2 (0.58) PARP14PARP10PARP15NR4A2CES2
SCHEMBL17895544 0.82 MAOB (0.64) AKR1C3PARP14PARP10TNKSPARP15
SCHEMBL3650722 0.82 PARP10 (0.78) AKR1C3PARP14PARP10TNKSPARP15
SCHEMBL11217963 0.82 AKR1C3 (0.54) AKR1C3PARP14PARP10TNKSPARP15
SCHEMBL10389988 0.81 AKR1C3 (0.68) AKR1C3PARP14PARP10TNKSPARP15
SCHEMBL21887184 0.81 AKR1C3 (0.78) AKR1C3PARP14PARP10TNKSPARP15
Hydrochloric Acid SCHEMBL4868181 0.81 PARP10 (0.76) AKR1C3PARP14PARP10TNKSPARP15
SCHEMBL16595775 0.80 GCK (0.49) AKR1C3PARP14PARP10TNKSPARP15

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 AKR1C3 1409/4885PARP14 2162/4885PARP10 1769/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 AKR1C3 1409/4885PARP14 2162/4885PARP10 1769/4885
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 AKR1C3 1409/4885PARP14 2162/4885PARP10 1769/4885
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 AKR1C3 1409/4885PARP14 2162/4885PARP10 1769/4885

“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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