SCHEMBL4573249

SCHEMBL4573249

Nc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
MAPT P10636 2/20 0.71
ALDH1A1 P00352 1/20 0.71
CYP1A2 P05177 1/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C19 P33261 1/20 0.71
CA1 P00915 4/20 0.65
CA2 P00918 4/20 0.65
HTT P42858 1/20 0.65
CA9 Q16790 1/20 0.65
KEAP1 Q14145 1/20 0.62
PRMT1 Q99873 1/20 0.58
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58

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
SCHEMBL29118836 1.00 KMT2A (0.71) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL14601685 0.91 MEN1 (0.65) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL11793140 0.86 CA1 (0.85) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL540915 0.86 CA1 (0.85) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL12462888 0.85 HTR6 (0.59) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL7577535 0.85 CA1 (0.65) KMT2AMEN1MAPTALDH1A1CYP3A4
SCHEMBL11419365 0.84 RORA (0.74) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL31198191 0.83 UQCRB (0.71) KMT2AMEN1MAPTCA1CA2
SCHEMBL20657557 0.83 KMT2A (1.00) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL18031173 0.83 UQCRB (0.71) KMT2AMEN1MAPTCA1CA2

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 6 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
US-20140066410-A1 INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-03-06 US disclosed
US-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 US disclosed
US-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 US disclosed
US-20080207632-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-08-28 US disclosed
WO-2008055233-A1 PROTEIN KINASE INHIBITORS SUPERGEN, INC. (US) 2008-05-08 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 (2 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-20080207632-A1 PROTEIN KINASE INHIBITORS ERBB3, ERBB2, AXL KMT2A 624/4885MEN1 1002/4885MAPT 1472/4885
US-20140066410-A1 INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION NFKBIA, NFKB2, IKBKG KMT2A 1147/4885MEN1 3799/4885MAPT 2028/4885

“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.