SCHEMBL16595274

SCHEMBL16595274

O=C(O)C(F)(F)C1Cc2ccc(Cl)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.45
SRD5A1 P18405 1/20 0.37
SRD5A2 P31213 1/20 0.37
P2RX7 Q99572 1/20 0.37
HSP90AA1 P07900 1/20 0.36
KDM1A O60341 1/20 0.36
SLC6A4 P31645 1/20 0.35
USP36 Q9P275 2/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
PDK2 Q15119 1/20 0.34
AADAT Q8N5Z0 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
PSEN1 P49768 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
SCHEMBL16595179 0.83 PTGS2 (0.33) KDM1APTGS1PTGS2TSHR
SCHEMBL16595779 0.82 PSEN1 (0.39) KDM1ASLC6A4PSEN1PSEN2APH1B
SCHEMBL16595289 0.82 NR1H2 (0.41) PNMTP2RX7CA12CA1CA2
SCHEMBL16595708 0.79 PNMT (0.39) PNMTALDH1A1PSEN1PSEN2APH1B
SCHEMBL23731928 0.75 PNMT (0.50) PNMTP2RX7SLC6A4USP36PDK2
SCHEMBL4017287 0.74 NOTUM (0.44) PNMTSRD5A1SRD5A2P2RX7HSP90AA1
SCHEMBL16595251 0.72 HDAC1 (0.33) SMN1; SMN2
SCHEMBL7293280 0.70 TBXA2R (0.42) SRD5A1SRD5A2HSP90AA1PSEN1PSEN2
SCHEMBL26650239 0.70 CA1 (0.50) P2RX7USP36CA12CA1CA2
SCHEMBL11895489 0.70 CA1 (0.50) P2RX7USP36CA12CA1CA2

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 PNMT 2496/4885SRD5A1 1911/4885SRD5A2 2099/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 PNMT 2496/4885SRD5A1 1911/4885SRD5A2 2099/4885
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 PNMT 2496/4885SRD5A1 1911/4885SRD5A2 2099/4885
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 PNMT 2496/4885SRD5A1 1911/4885SRD5A2 2099/4885

“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.