SCHEMBL10331355

SCHEMBL10331355

CC(C)(C)c1ccc(-c2ccc(C(=O)N3CCC3)cc2)s1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ YEATS4 O95619 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ HTT P42858 1/20 0.56
▸ HPGD P15428 7/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ SLC6A7 Q99884 2/20 0.51
▸ FASN P49327 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ ABL1 P00519 2/20 0.45
▸ BCR P11274 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MLYCD O95822 1/20 0.43

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
SCHEMBL10331352 0.97 YEATS4 (0.61) YEATS4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL12529439 0.88 HPGD (0.51) YEATS4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10331366 0.86 SLC6A7 (0.46) YEATS4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10331356 0.81 NAMPT (0.47) YEATS4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10331358 0.81 YEATS4 (0.51) YEATS4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10331961 0.81 ALDH1A1 (0.57) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL10331354 0.78 YEATS4 (0.54) YEATS4ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10331353 0.78 YEATS4 (0.54) YEATS4ALDH1A1KMT2AHPGDLMNA
SCHEMBL10331954 0.78 HPGD (0.61) ALDH1A1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL25451198 0.77 HDAC6 (0.56) MEN1KMT2ASMN1; SMN2HPGDMAPK1

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 YEATS4 4591/4885ALDH1A1 4091/4885MEN1 3721/4885

“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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