SCHEMBL10331987

SCHEMBL10331987

CCc1ccc(-c2ccc(C(=O)N3CCCCC3)c(F)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ MTOR P42345 11/20 0.48
▸ GRIN2B Q13224 4/20 0.48
▸ PIK3CA P42336 6/20 0.47
▸ CPS1 P31327 2/20 0.45
▸ KCNH2 Q12809 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ GRIN1 Q05586 1/20 0.42
▸ CNR1 P21554 1/20 0.41

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
SCHEMBL10331985 0.99 HPGD (0.53) ALDH1A1HPGDMTORGRIN2BPIK3CA
SCHEMBL10332046 0.96 GRIN2B (0.51) ALDH1A1HPGDMTORGRIN2BPIK3CA
SCHEMBL10331348 0.85 YEATS4 (0.53) ALDH1A1HPGDMTORPIK3CACPS1
SCHEMBL10331952 0.85 HPGD (0.53) ALDH1A1HPGDMTORGRIN2BPIK3CA
SCHEMBL10331353 0.83 YEATS4 (0.54) ALDH1A1HPGDMTORPIK3CACPS1
SCHEMBL10331358 0.81 YEATS4 (0.51) ALDH1A1HPGDMTORPIK3CACPS1
SCHEMBL10331956 0.80 MEN1 (0.49) GRIN2B
SCHEMBL10331954 0.79 HPGD (0.61) ALDH1A1HPGDGRIN2BHRH3
SCHEMBL10331961 0.76 ALDH1A1 (0.57) ALDH1A1HPGDGRIN2BGRIN1
SCHEMBL764280 0.76 ABL1 (0.53) ALDH1A1HPGDCPS1KCNH2HRH3

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 ALDH1A1 4091/4885HPGD 3552/4885MTOR 1418/4885

“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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