SCHEMBL10332013

SCHEMBL10332013

CCc1ccc(-c2ccc(C(=O)N(C)CC)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 2/20 0.46
▸ RORC P51449 1/20 0.42
▸ GRIN2B Q13224 4/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GRIN1 Q05586 1/20 0.38
▸ HSD17B2 P37059 7/20 0.38
▸ HSD17B1 P14061 6/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ PRF1 P14222 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ AOC3 Q16853 1/20 0.36

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
SCHEMBL10331965 0.87 HPGD (0.55) ALDH1A1MAPTHPGDMEN1NPC1
SCHEMBL10331364 0.83 HDAC4 (0.44) HDAC4RORCALDH1A1MAPTHPGD
SCHEMBL10332059 0.79 GRIN2B (0.43) HDAC4GRIN2BGRIN1HSD17B2HSD17B1
SCHEMBL10332057 0.78 RORC (0.48) RORCPRF1MEN1NPC1RAB9A
SCHEMBL14518464 0.77 HDAC4 (0.51) HDAC4ALDH1A1MAPTHPGDNAMPT
SCHEMBL10332056 0.76 PLK1 (0.53) ALDH1A1MAPTHPGDPRF1HDAC2
SCHEMBL13420010 0.75 CYP2A6 (0.47) GRIN2BGRIN1MEN1NPC1RAB9A
SCHEMBL10331959 0.75 HDAC4 (0.45) HDAC4MAPTHPGDPRF1HDAC6
SCHEMBL5349623 0.73 CYP2E1 (0.45) HSD17B2HSD17B1MEN1NPC1RAB9A
SCHEMBL2767502 0.73 CYP2E1 (0.45) HSD17B2HSD17B1MEN1NPC1RAB9A

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 1051/4885RORC 57/4885GRIN2B 440/4885

“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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