SCHEMBL16595347

SCHEMBL16595347

O=C(O)C(F)(F)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
PTPN1 P18031 4/20 0.41
CHRNA7 P36544 1/20 0.38
GRB2 P62993 1/20 0.38
MIF P14174 1/20 0.38
F7 P08709 1/20 0.38
F3 P13726 1/20 0.38
GRIK1 P39086 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
P2RX1 P51575 1/20 0.37
P2RX4 Q99571 1/20 0.37
P2RX7 Q99572 1/20 0.37
TMPRSS4 Q9NRS4 1/20 0.37
PTGDR Q13258 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL30272846 0.84 PTPN1 (0.40) CYP2A6PTPN1CHRNA7P2RX1P2RX4
SCHEMBL4312243 0.81 MIF (0.50) GRB2MIFCYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL23457137 0.79 MIF (0.48) GRB2MIFCYP1A2CYP2D6CYP2C19
SCHEMBL9315537 0.78 KIF11 (0.44) SLC22A12PTGDRCYP1A2CYP2D6CYP2C19
SCHEMBL16595353 0.77 TSHR (0.48) CYP1A2ALDH1A1TSHRSMN1; SMN2
SCHEMBL29374749 0.77 CYP2A6 (0.50) CYP2A6PTPN1CHRNA7P2RX1P2RX4
SCHEMBL22401519 0.77 CYP2A6 (0.50) CYP2A6PTPN1CHRNA7P2RX1P2RX4
SCHEMBL16681508 0.76 NPC1 (0.45) GRB2SLC22A12RAB9ATSHRSMN1; SMN2
Bicarbonate SCHEMBL29074426 0.76 CYP2A6 (0.59) CYP2A6F7F3CYP1A2RAB9A
SCHEMBL1774639 0.76 TSHR (0.48) GRB2SLC22A12RAB9ATSHRSMN1; SMN2

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 CYP2A6 1882/4885PTPN1 4119/4885CHRNA7 3335/4885
US-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 CYP2A6 1882/4885PTPN1 4119/4885CHRNA7 3335/4885
US-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 CYP2A6 1882/4885PTPN1 4119/4885CHRNA7 3335/4885
US-20190263775-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 CYP2A6 1882/4885PTPN1 4119/4885CHRNA7 3335/4885

“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.