SCHEMBL4074796

SCHEMBL4074796

CC(C)(C)c1cc(C=C(C#N)S(=O)(=O)c2ccccn2)cc(C(C)(C)C)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
PKM P14618 5/20 0.57
MAPK1 P28482 2/20 0.57
POLB P06746 2/20 0.57
LMNA P02545 3/20 0.54
MAPT P10636 5/20 0.48
MEN1 O00255 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HSD17B10 Q99714 4/20 0.48
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 3/20 0.48
TSHR P16473 3/20 0.48
BLM P54132 3/20 0.48
HPGD P15428 3/20 0.48
ALOX15 P16050 3/20 0.48
TP53 P04637 2/20 0.48
RGS12 O14924 2/20 0.48
GMNN O75496 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48

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
SCHEMBL4074791 1.00 KMT2A (0.57) KMT2APKMMAPK1POLBLMNA
SCHEMBL4074794 1.00 KMT2A (0.57) KMT2APKMMAPK1POLBLMNA
SCHEMBL7963939 0.93 IGF1R (0.53) KMT2APKMMAPK1POLBLMNA
SCHEMBL7963934 0.93 IGF1R (0.53) KMT2APKMMAPK1POLBLMNA
SCHEMBL7963935 0.93 IGF1R (0.53) KMT2APKMMAPK1POLBLMNA
SCHEMBL7962829 0.89 KMT2A (0.61) KMT2APKMMAPK1POLBLMNA
SCHEMBL7962831 0.89 KMT2A (0.61) KMT2APKMMAPK1POLBLMNA
SCHEMBL7962827 0.89 KMT2A (0.61) KMT2APKMMAPK1POLBLMNA
SCHEMBL5363714 0.85 PKM (0.60) KMT2APKMMAPK1POLBLMNA
SCHEMBL5363709 0.85 PKM (0.60) KMT2APKMMAPK1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5789427-A ANTITUMOR, ANTICANCER AGENTS SUGEN, INC. (US) 1998-08-04 US claimed
EP-1625112-B1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY HIGH POINT PHARMACEUTICALS LLC (US) 2009-07-22 EP disclosed
US-7217737-B2 Method and compositions for inhibiting cell proliferative disorders YISSUM RESEARCH AND DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2007-05-15 US disclosed
US-20060128662-A1 Novel compounds for treatment of obesity NOVO NORDISK A/S (DK) 2006-06-15 US disclosed
EP-1625112-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2006-02-15 EP disclosed
US-20040242684-A1 Method and compositions for inhibiting cell proliferative disorders YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM 2004-12-02 US disclosed
WO-2004101505-A1 NOVEL COMPOUNDS FOR TREATMENT OF OBESITY NOVO NORDISK A/S (DK) 2004-11-25 WO disclosed
US-6596878-B2 Protein kinase inhibitor compositio; used to treat cell proliferative disorders such as cancers charcterized by over-activity or inappropriate activity HER2 or EGFR. YISSUM RESEARCH & DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY (IL) 2003-07-22 US disclosed
US-6225346-B1 FOR THERAPY AND PROPHYLAXIS OF CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS ASSOCIATED WITH PARTICULAR TYROSINE KINASES BY INHIBITING ONE OR MORE ABNORMAL TYROSINE KINASE ACTIVITIES SUGEN, INC. 2001-05-01 US disclosed
US-5935993-A TYROSINE KINASE INHIBITORS; TREATMENT OF CELL GROWTH, CELL DIFFERENTIATION DISORDERS SUGEN, INC. (US) 1999-08-10 US disclosed
US-5891917-A MODULATING TYROSINE SIGNAL TRANSDUCTION TO PREVENT AND TREAT CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS ASSOCIATED WITH PARTICULAR TYROSINE KINASES BY INHIBITING ONE OR MORE ABNORMAL TYROSINE KINASE ACTIVITIES SUGEN, INC. (US) 1999-04-06 US disclosed
US-5773476-A KINASE INHIBITORS SUGEN, INC. (IL) 1998-06-30 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 (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-20040242684-A1 Method and compositions for inhibiting cell proliferative disorders ERBB2, EGFR, MKI67 KMT2A 1810/4885PKM 1500/4885MAPK1 217/4885
US-20060128662-A1 Novel compounds for treatment of obesity GPR119, FABP4, HSD17B4 KMT2A 2506/4885PKM 1478/4885MAPK1 1552/4885

“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.