SCHEMBL5367191

SCHEMBL5367191

CC(C)c1cc(C=C(C#N)S(=O)(=O)C(C#N)=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)C)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
MAPT P10636 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
CYP1A2 P05177 4/20 0.52
MEN1 O00255 3/20 0.52
TSHR P16473 3/20 0.52
BLM P54132 3/20 0.52
KMT2A Q03164 3/20 0.52
HSD17B10 Q99714 3/20 0.52
CYP2C9 P11712 3/20 0.52
RGS12 O14924 2/20 0.52
GMNN O75496 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.52
HPGD P15428 2/20 0.52
ALOX15 P16050 2/20 0.52
NFKB1 P19838 2/20 0.52
CYP2C19 P33261 2/20 0.52
THPO P40225 2/20 0.52

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
SCHEMBL5367189 1.00 CYP3A4 (0.52) CYP3A4MAPTSMN1; SMN2CYP1A2MEN1
SCHEMBL5367760 0.89 EGFR (0.58) CYP3A4MAPTSMN1; SMN2CYP1A2MEN1
SCHEMBL5367754 0.89 EGFR (0.58) CYP3A4MAPTSMN1; SMN2CYP1A2MEN1
SCHEMBL7164752 0.83 MAPT (0.45) CYP3A4MAPTSMN1; SMN2CYP1A2MEN1
SCHEMBL3243232 0.82 MEN1 (0.57) CYP3A4MAPTSMN1; SMN2CYP1A2MEN1
SCHEMBL3243227 0.82 MEN1 (0.57) CYP3A4MAPTSMN1; SMN2CYP1A2MEN1
SCHEMBL3242612 0.80 MEN1 (0.62) CYP3A4MAPTSMN1; SMN2CYP1A2MEN1
SCHEMBL3242618 0.80 MEN1 (0.62) CYP3A4MAPTSMN1; SMN2CYP1A2MEN1
SCHEMBL3242616 0.80 MEN1 (0.62) CYP3A4MAPTSMN1; SMN2CYP1A2MEN1
SCHEMBL25800807 0.79 MEN1 (0.74) CYP3A4MAPTSMN1; SMN2CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CYP3A4 4877/4885MAPT 2232/4885SMN1; SMN2 3362/4885

“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.