SCHEMBL5367754

SCHEMBL5367754

CC(C)c1cc(/C=C(\C#N)S(=O)(=O)/C(C#N)=C/c2cc(C(C)C)c(O)c(C(C)C)c2)cc(C(C)C)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.58
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2B6 P20813 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
KDR P35968 1/20 0.43
GABRA1 P14867 3/20 0.42
GABRB1 P18505 3/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALOX5 P09917 1/20 0.39
GABRB2 P47870 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
ALPG P10696 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL5367760 1.00 EGFR (0.58) EGFRCYP1A2CYP3A4CYP2B6SMN1; SMN2
SCHEMBL5367189 0.89 CYP3A4 (0.52) EGFRCYP1A2CYP3A4CYP2B6SMN1; SMN2
SCHEMBL5367191 0.89 CYP3A4 (0.52) EGFRCYP1A2CYP3A4CYP2B6SMN1; SMN2
SCHEMBL9083330 0.85 EGFR (0.53) EGFRCYP1A2CYP3A4CYP2B6SMN1; SMN2
SCHEMBL9083323 0.85 EGFR (0.53) EGFRCYP1A2CYP3A4CYP2B6SMN1; SMN2
SCHEMBL4565434 0.84 EGFR (0.52) EGFRCYP1A2CYP3A4CYP2B6SMN1; SMN2
SCHEMBL4565432 0.84 EGFR (0.52) EGFRCYP1A2CYP3A4CYP2B6SMN1; SMN2
SCHEMBL4565433 0.84 EGFR (0.52) EGFRCYP1A2CYP3A4CYP2B6SMN1; SMN2
SCHEMBL5377726 0.82 ALDH1A1 (0.61) EGFRSMN1; SMN2MAPTKDRGABRA1
SCHEMBL5377716 0.82 ALDH1A1 (0.61) EGFRSMN1; SMN2MAPTKDRGABRA1

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 2/4885CYP1A2 4651/4885CYP3A4 4877/4885

“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.