SCHEMBL5319946

SCHEMBL5319946

Cc1cccc(C(C)C(N)CC(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 1/20 0.45
▸ ACP3 P15309 1/20 0.43
▸ CTSA P10619 3/20 0.42
▸ GABBR2 O75899 1/20 0.40
▸ GABBR1 Q9UBS5 1/20 0.40
▸ GPR139 Q6DWJ6 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ FFAR1 O14842 1/20 0.39
▸ SLC6A9 P48067 1/20 0.39
▸ MGAM O43451 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ KIF11 P52732 3/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PARP1 P09874 1/20 0.39

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
SCHEMBL1666942 0.83 GABBR2 (0.52) GABBR2GABBR1FFAR1
SCHEMBL2858374 0.82 KMT2A (0.55) CYP26A1ACP3CTSAGABBR2GABBR1
SCHEMBL27347770 0.82 KMT2A (0.55) CYP26A1ACP3CTSAGABBR2GABBR1
SCHEMBL3510648 0.82 KMT2A (0.55) CYP26A1ACP3CTSAGABBR2GABBR1
SCHEMBL5323449 0.82 CYP26A1 (0.43) CYP26A1ACP3CTSAGABBR2GABBR1
SCHEMBL9085971 0.80 FFAR1 (0.50) CYP26A1ACP3CTSAGPR139ATM
SCHEMBL5328076 0.79 ACP3 (0.46) ACP3GPR139KIF11SMN1; SMN2PARP1
SCHEMBL27797767 0.78 CYP26A1 (0.50) CYP26A1ACP3CTSAGABBR2GABBR1
SCHEMBL5320805 0.77 UGT2B7 (0.49) GAAKMT2ASMN1; SMN2
SCHEMBL9152199 0.77 CTSA (0.52) CYP26A1ACP3CTSAGABBR2GABBR1

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-20070258899-A1 Diagnostic and therapeutic agents KARYON-CTT LTD (FI) 2007-11-08 — — US disclosed
WO-2007113385-A1 DIAGNOSTIC AND THERAPEUTIC AGENTS KARYON-CTT LTD (FI) 2007-10-11 — — 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-20070258899-A1 Diagnostic and therapeutic agents YBX1, MLX, TPX2 CYP26A1 3699/4885ACP3 1790/4885CTSA 4431/4885

“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.

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