SCHEMBL4565432

SCHEMBL4565432

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 1/20 0.42
KDR P35968 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2B6 P20813 1/20 0.40
GABRA1 P14867 3/20 0.37
GABRB1 P18505 3/20 0.37
ALOX5 P09917 1/20 0.35
MAPK1 P28482 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GAA P10253 2/20 0.35
GABRB2 P47870 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
ALPG P10696 1/20 0.33

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
SCHEMBL4565434 1.00 EGFR (0.52) EGFRSMN1; SMN2MAPTKDRCYP1A2
SCHEMBL4565433 1.00 EGFR (0.52) EGFRSMN1; SMN2MAPTKDRCYP1A2
SCHEMBL5367754 0.84 EGFR (0.58) EGFRSMN1; SMN2MAPTKDRCYP1A2
SCHEMBL5367760 0.84 EGFR (0.58) EGFRSMN1; SMN2MAPTKDRCYP1A2
SCHEMBL7960800 0.82 EGFR (0.45) EGFRSMN1; SMN2CYP1A2CYP3A4CYP2B6
SCHEMBL7960797 0.82 EGFR (0.45) EGFRSMN1; SMN2CYP1A2CYP3A4CYP2B6
SCHEMBL7960804 0.82 EGFR (0.45) EGFRSMN1; SMN2CYP1A2CYP3A4CYP2B6
SCHEMBL4070927 0.81 EGFR (0.47) EGFRSMN1; SMN2MAPTKDRCYP1A2
SCHEMBL4070924 0.81 EGFR (0.47) EGFRSMN1; SMN2MAPTKDRCYP1A2
SCHEMBL4070930 0.81 EGFR (0.47) EGFRSMN1; SMN2MAPTKDRCYP1A2

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 13 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
WO-1996040629-A1 TYRPHOSTIN-LIKE COMPOUNDS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS SUGEN, INC. (US) 1996-12-19 WO claimed
WO-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 WO 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-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-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
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-20020068687-A1 Methods and compositions for inhibiting cell proliferative disorders CHEN HUI (US) 2002-06-06 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-5789427-A ANTITUMOR, ANTICANCER AGENTS SUGEN, INC. (US) 1998-08-04 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 (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-20040242684-A1 Method and compositions for inhibiting cell proliferative disorders ERBB2, EGFR, MKI67 EGFR 2/4885SMN1; SMN2 3362/4885MAPT 2232/4885

“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.