SCHEMBL10331346

SCHEMBL10331346

CN(C)C(=O)c1ccc(-c2ccc(C(C)(C)C)s2)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.47
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NR1H2 P55055 2/20 0.40
▸ NR1H3 Q13133 2/20 0.40
▸ RXRA P19793 1/20 0.40
▸ ATR Q13535 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 1/20 0.37
▸ MAPK14 Q16539 1/20 0.36
▸ CECR2 Q9BXF3 1/20 0.36
▸ LIPC P11150 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
SCHEMBL10331360 0.86 HSP90AA1 (0.42) PDK2MTORMAPTKMT2AKDM4E
SCHEMBL10331340 0.79 PRF1 (0.46) PDK2MAPTKMT2AKDM4EALDH1A1
SCHEMBL10331354 0.77 YEATS4 (0.54) MTORKMT2ARAB9AALDH1A1HPGD
SCHEMBL25094156 0.76 ERN1 (0.47) PDK2MTORRXRACECR2HSD17B1
SCHEMBL4404222 0.73 ALDH1A1 (0.47) PDK2MAPTKMT2ARAB9ARXRA
SCHEMBL10331367 0.72 NR3C1 (0.40) MTORGRIN2BHSD17B1HSD17B2
SCHEMBL10331963 0.71 SMN1; SMN2 (0.42) MTORMAPTKMT2AKDM4ELMNA
SCHEMBL10331342 0.70 RARB (0.47) KMT2AKDM4ERAB9AHSD17B1HSD17B2
SCHEMBL30032369 0.70 ALDH1A1 (0.46) PDK2CCNE1CDK2MTORMAPT
SCHEMBL10331377 0.70 ATR (0.47) PDK2CCNE1CDK2MTORRAB9A

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 PDK2 2214/4885CCNE1 2765/4885CDK2 1556/4885

“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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