SCHEMBL16595201

SCHEMBL16595201

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.55
GRIN1 Q05586 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GPR35 Q9HC97 1/20 0.51
MAOA P21397 1/20 0.47
CYP2A6 P11509 1/20 0.45
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
F12 P00748 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA1 P00915 1/20 0.42
PIM2 Q9P1W9 1/20 0.41

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
SCHEMBL16595650 0.83 PIM1 (0.42) PIM1ALDH1A1NPC1LMNAMAPT
SCHEMBL16595207 0.82 PIM1 (0.47) PIM1GRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL17996539 0.81 MAOB (0.51) PIM1MAOAALDH1A1F12CA12
SCHEMBL16595195 0.81 PIM1 (0.63) PIM1MAOAALDH1A1PIM2MMP2
SCHEMBL16595248 0.81 KDM4E (0.51) PIM1GPR35ALDH1A1RAB9ANPC1
SCHEMBL16422597 0.80 CYP2A6 (0.49) PIM1GRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL16595609 0.79 FLT3 (0.49) GPR35MAOAALDH1A1RAB9ANPC1
SCHEMBL7979133 0.74 CYP2A6 (0.44) PIM1GRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL29523120 0.71 PIM1 (1.00) PIM1GRIN1GRIN2AGRIN2BGRIN2C
SCHEMBL2198563 0.71 PIM1 (1.00) PIM1GRIN1GRIN2AGRIN2BGRIN2C

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 3801/4885GRIN1 916/4885GRIN2A 1254/4885

“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.