SCHEMBL10331364

SCHEMBL10331364

CCN(C)C(=O)c1ccc(-c2ccc(C(C)(C)C)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.44
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HSD17B2 P37059 12/20 0.39
▸ HSD17B1 P14061 9/20 0.39
▸ GAA P10253 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.39
▸ PDK2 Q15119 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ AOC3 Q16853 1/20 0.37

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
SCHEMBL10331359 0.87 HPGD (0.56) HPGDALDH1A1MAPTGAAAOC3
SCHEMBL10331340 0.85 PRF1 (0.46) HDAC4HPGDALDH1A1MAPTHSD17B2
SCHEMBL10332013 0.83 HDAC4 (0.46) HDAC4HPGDALDH1A1MAPTHSD17B2
SCHEMBL10331367 0.81 NR3C1 (0.40) HSD17B2HSD17B1TRPM8
SCHEMBL25451198 0.77 HDAC6 (0.56) HPGDMAPTHSD17B2HSD17B1
SCHEMBL10331361 0.76 PRF1 (0.50) MAPTRORC
SCHEMBL10331357 0.76 HDAC4 (0.43) HDAC4HPGDALDH1A1MAPTAOC3
SCHEMBL14518464 0.74 HDAC4 (0.51) HDAC4HPGDALDH1A1MAPTPDK2
SCHEMBL12296890 0.74 APP (0.43) HSD17B2HSD17B1
SCHEMBL25094156 0.74 ERN1 (0.47) HSD17B2HSD17B1PDK2

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-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 — — US disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 — — 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-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF NR3C1, NFRKB, RELA HDAC4 1051/4885HPGD 3552/4885ALDH1A1 4091/4885

“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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