SCHEMBL24315010

SCHEMBL24315010

CC(=O)Oc1ccc2cc(-c3cncnc3)ccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 9/20 0.52
CYP11B2 P19099 9/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
CYP2C9 P11712 1/20 0.46
ABL1 P00519 1/20 0.46
GLA P06280 2/20 0.46
ALDH1A1 P00352 1/20 0.46
F2 P00734 1/20 0.46
HPGD P15428 1/20 0.46
GAPDH P04406 1/20 0.45
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL24314128 0.87 CYP11B2 (0.46) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL5045929 0.87 CA12 (0.57) CYP3A4CA12CA9GLAGAPDH
SCHEMBL27940040 0.84 CYP11B2 (0.67) CYP11B1CYP11B2CYP1A2CYP3A4ABL1
SCHEMBL5048026 0.83 HSD17B10 (0.59) CYP3A4CA12CA9GLAHPGD
SCHEMBL3974361 0.79 CA12 (0.65) CYP3A4CA12CA9GLAALDH1A1
SCHEMBL30595409 0.79 CA12 (0.65) CYP3A4CA12CA9GLAALDH1A1
SCHEMBL4509505 0.78 CYP11B2 (0.72) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL26260191 0.77 CYP11B2 (0.52) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL5045660 0.76 HSD17B10 (0.75) CA12CA9ALDH1A1HPGDGAA
SCHEMBL9828031 0.76 CYP3A4 (0.50) CYP1A2CYP3A4CA12CA9GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-11-16 US disclosed
WO-2022076820-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-04-14 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-20230365488-A1 TRUXILLIC ACID MONOESTER-DERIVATIVES AS SELECTIVE FABP5 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS AND USES THEREOF FABP5, FABP1, FABP4 CYP11B1 3052/4885CYP11B2 3035/4885CYP1A2 1870/4885

“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.