SCHEMBL4910906

SCHEMBL4910906

COc1ccc([C@@](C)(N)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
NPC1 O15118 3/20 0.53
ALDH1A1 P00352 3/20 0.51
ATM Q13315 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
ACHE P22303 1/20 0.49
PLAU P00749 1/20 0.46
ELANE P08246 1/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
KIF11 P52732 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
CTSS P25774 2/20 0.43
CTSL P07711 1/20 0.43
CTSK P43235 1/20 0.43

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
SCHEMBL7027911 0.83 ATM (0.53) RAB9ANPC1ALDH1A1ATMMEN1
SCHEMBL3248426 0.81 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1ATMMEN1
SCHEMBL3248430 0.81 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1ATMMEN1
SCHEMBL4508484 0.79 MEN1 (0.57) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL2406040 0.79 ITGB3 (0.61) RAB9ANPC1ALDH1A1ATMMEN1
SCHEMBL10885861 0.78 MEN1 (0.53) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL16468538 0.78 ATM (0.64) RAB9ANPC1ALDH1A1ATMMEN1
SCHEMBL25754099 0.78 ALDH1A1 (0.61) RAB9ANPC1ALDH1A1ATMMEN1
SCHEMBL14375579 0.77 MEN1 (0.50) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL7026740 0.77 NPC1 (0.51) RAB9ANPC1ALDH1A1ATMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009534-A1 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US 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-20080009534-A1 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD GPR119, LIPC, CEL RAB9A 1191/4885NPC1 146/4885ALDH1A1 322/4885

“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.