SCHEMBL3828608

SCHEMBL3828608

O=C(O)c1cc(C#Cc2ccc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)nc2)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCD O00767 12/20 0.53
GBA1 P04062 1/20 0.47
DCTPP1 Q9H773 2/20 0.47
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL3825664 0.90 SCD (0.51) SCDGBA1DCTPP1KDM4ELMNA
SCHEMBL3829390 0.89 SCD (0.59) SCDGBA1DCTPP1KDM4ELMNA
SCHEMBL3826427 0.87 SCD (0.52) SCDGBA1DCTPP1KDM4ELMNA
SCHEMBL3826413 0.87 SCD (0.55) SCDGBA1DCTPP1KDM4ELMNA
SCHEMBL14143638 0.86 SCD (0.55) SCDGBA1DCTPP1KDM4ELMNA
SCHEMBL3830773 0.85 SCD (0.55) SCDGBA1DCTPP1KDM4ELMNA
SCHEMBL3830337 0.83 SCD (0.56) SCDGBA1DCTPP1KDM4ELMNA
SCHEMBL3825613 0.82 SCD (0.59) SCDGBA1DCTPP1KDM4ELMNA
SCHEMBL3831513 0.82 SCD (0.56) SCDGBA1KDM4ELMNASMN1; SMN2
SCHEMBL3826477 0.82 SCD (0.56) SCDGBA1KDM4ELMNASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099755-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-09-16 EP claimed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US claimed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 WO claimed
EP-2099755-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-09-16 EP disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
US-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2008-07-31 US disclosed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 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-20080182851-A1 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS SCD, SCD5, ACACA SCD 1/4885GBA1 874/4885DCTPP1 1930/4885

“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.