SCHEMBL16595240

SCHEMBL16595240

COc1ccc(Br)cc1C(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 2/20 0.41
AMY1A P0DUB6 1/20 0.41
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
LPAR1 Q92633 1/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
HTR6 P50406 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL7947311 0.84 TSHR (0.42) SMN1; SMN2TSHRGLAGAAAMY1A
SCHEMBL3917312 0.82 LPAR1 (0.49) SMN1; SMN2TSHRGLAGAALMNA
SCHEMBL2061830 0.82 GAA (0.41) SMN1; SMN2TSHRGLAGAAAMY1A
SCHEMBL21079314 0.81 ALDH1A1 (0.43) SMN1; SMN2TSHRLMNAL3MBTL1TDP1
SCHEMBL27885171 0.80 LMNA (0.42) SMN1; SMN2TSHRGLAGAALMNA
SCHEMBL15271315 0.80 ALDH1A1 (0.39) SMN1; SMN2TSHRLMNAL3MBTL1TDP1
SCHEMBL23722503 0.78 LMNA (0.41) SMN1; SMN2TSHRGLALMNATDP1
SCHEMBL20855486 0.78 CYP2D6 (0.49) LMNATDP1KDM4EMAPK1
SCHEMBL16956830 0.78 LMNA (0.41) SMN1; SMN2TSHRGLAGAALMNA
SCHEMBL6278872 0.78 LMNA (0.41) SMN1; SMN2TSHRGLAGAALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SMN1; SMN2 1269/4885TSHR 3371/4885GLA 21/4885

“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.