SCHEMBL16595207

SCHEMBL16595207

COC(=O)C(F)(F)c1cc2cc(Br)ccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.47
ALDH1A1 P00352 5/20 0.46
USP2 O75604 2/20 0.46
HTT P42858 2/20 0.46
MAOA P21397 1/20 0.46
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GPR35 Q9HC97 1/20 0.43
RAB9A P51151 5/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2A6 P11509 1/20 0.41
NPC1 O15118 4/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
ADAM17 P78536 1/20 0.40

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
SCHEMBL20799416 0.83 MAOB (0.46) ALDH1A1GPR35RAB9AMAPTHPGD
SCHEMBL16595201 0.82 PIM1 (0.55) PIM1ALDH1A1USP2HTTMAOA
SCHEMBL16422597 0.75 CYP2A6 (0.49) PIM1ALDH1A1MAOAGRIN1GRIN2A
SCHEMBL30474801 0.72 PIM1 (0.66) PIM1ALDH1A1USP2HTTMAOA
SCHEMBL1066370 0.72 PIM1 (0.66) PIM1ALDH1A1USP2HTTMAOA
SCHEMBL17996504 0.71 MAOB (0.43) ALDH1A1MAOARAB9AHPGDSMN1; SMN2
SCHEMBL16595649 0.70 TSHR (0.40) ALDH1A1HTTMAOAMAPTSMN1; SMN2
SCHEMBL7979133 0.70 CYP2A6 (0.44) PIM1ALDH1A1MAOAGRIN1GRIN2A
SCHEMBL16595200 0.70 PIM1 (0.62) PIM1ALDH1A1USP2HTTMAOA
SCHEMBL16595203 0.69 PIM1 (0.50) PIM1ALDH1A1MAOACA12CA2

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 5 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-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 (1 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-20160229830-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES GBA1, UGCG, GBA2 PIM1 3801/4885ALDH1A1 1342/4885USP2 2701/4885

“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.