SCHEMBL5363574

SCHEMBL5363574

Cc1cc(/C=C(\C#N)S(=O)(=O)/C(C#N)=C/c2cc(C)c(O)c(C)c2)cc(C)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.61
ERBB2 P04626 1/20 0.51
CYP2C9 P11712 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2B6 P20813 1/20 0.44
PTGS1 P23219 6/20 0.41
PTGS2 P35354 6/20 0.41
ALOX5 P09917 6/20 0.41
TTR P02766 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
ALOX12 P18054 2/20 0.39

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
SCHEMBL14532648 1.00 EGFR (0.61) EGFRERBB2CYP2C9CYP3A4CYP1A2
SCHEMBL7960800 0.83 EGFR (0.45) EGFRERBB2CYP2C9CYP3A4CYP1A2
SCHEMBL7960797 0.83 EGFR (0.45) EGFRERBB2CYP2C9CYP3A4CYP1A2
SCHEMBL7960804 0.83 EGFR (0.45) EGFRERBB2CYP2C9CYP3A4CYP1A2
SCHEMBL7163929 0.81 ALDH1A1 (0.65) PTGS1PTGS2ALOX5TTRALDH1A1
SCHEMBL5373107 0.81 ALDH1A1 (0.65) PTGS1PTGS2ALOX5TTRALDH1A1
SCHEMBL7163931 0.81 ALDH1A1 (0.65) PTGS1PTGS2ALOX5TTRALDH1A1
SCHEMBL5363578 0.81 EGFR (0.43) EGFRERBB2CYP2C9CYP3A4CYP1A2
SCHEMBL5367754 0.79 EGFR (0.58) EGFRCYP3A4CYP1A2CYP2B6ALOX5
SCHEMBL5367760 0.79 EGFR (0.58) EGFRCYP3A4CYP1A2CYP2B6ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-1996040629-A1 TYRPHOSTIN-LIKE COMPOUNDS FOR THE TREATMENT OF CELL PROLIFERATIVE DISORDERS OR CELL DIFFERENTIATION DISORDERS SUGEN, INC. (US) 1996-12-19 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-20040242684-A1 Method and compositions for inhibiting cell proliferative disorders ERBB2, EGFR, MKI67 EGFR 2/4885ERBB2 1/4885CYP2C9 4744/4885

“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.