SCHEMBL12486693

SCHEMBL12486693

Cc1cc(N=Nc2ccc(S(=O)(=O)O)cc2)c(C)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.62
▸ PHLPP2 Q6ZVD8 4/20 0.55
▸ POLB P06746 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ BRD4 O60885 4/20 0.51
▸ CREBBP Q92793 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ BRD3 Q15059 2/20 0.49
▸ BRD2 P25440 1/20 0.49
▸ BRDT Q58F21 1/20 0.49
▸ ATIC P31939 1/20 0.48
▸ CYP2C9 P11712 2/20 0.47
▸ GLO1 Q04760 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ SMARCA4 P51532 1/20 0.46
▸ BPTF Q12830 1/20 0.46
▸ KAT2B Q92831 1/20 0.46
▸ BRD7 Q9NPI1 1/20 0.46
▸ BAZ2B Q9UIF8 1/20 0.46
▸ MAPT P10636 2/20 0.46

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
SCHEMBL12486691 1.00 RPS6KA3 (0.62) RPS6KA3PHLPP2POLBCYP2D6BRD4
SCHEMBL8844931 0.89 RPS6KA3 (0.64) RPS6KA3PHLPP2POLBCYP2D6BRD4
SCHEMBL8844924 0.89 RPS6KA3 (0.64) RPS6KA3PHLPP2POLBCYP2D6BRD4
SCHEMBL11242221 0.87 BRD4 (0.64) RPS6KA3PHLPP2POLBCYP2D6BRD4
SCHEMBL11242226 0.87 BRD4 (0.64) RPS6KA3PHLPP2POLBCYP2D6BRD4
SCHEMBL6123730 0.84 RPS6KA3 (0.54) RPS6KA3PHLPP2POLBCYP2D6BRD4
SCHEMBL14004211 0.84 RPS6KA3 (0.54) RPS6KA3PHLPP2POLBCYP2D6BRD4
SCHEMBL12758032 0.84 RPS6KA3 (0.54) RPS6KA3PHLPP2POLBCYP2D6BRD4
SCHEMBL7813054 0.83 RPS6KA3 (0.63) RPS6KA3PHLPP2POLBCYP2D6BRD4
SCHEMBL7813050 0.83 RPS6KA3 (0.63) RPS6KA3PHLPP2POLBCYP2D6BRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140066410-A1 INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-03-06 — — US disclosed
CN-103547152-A Inhibitors of bromodomains as modulators of gene expression ICAHN SCHOOL MED MOUNT SINAI 2014-01-29 — — CN disclosed
EP-2677865-A1 INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION Icahn School of Medicine at Mount Sinai (US) 2014-01-01 — — EP disclosed
WO-2012116170-A1 INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION ZHOU MING-MING (US) 2012-08-30 — — WO 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-20140066410-A1 INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION NFKBIA, NFKB2, IKBKG RPS6KA3 1654/4885PHLPP2 1158/4885POLB 96/4885

“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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