SCHEMBL5377722

SCHEMBL5377722

CC(C)c1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cc(C(C)C)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.61
HPGD P15428 6/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
KDM4E B2RXH2 4/20 0.61
KMT2A Q03164 4/20 0.61
PKM P14618 3/20 0.61
MEN1 O00255 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
HSD17B10 Q99714 2/20 0.61
POLB P06746 2/20 0.61
GAA P10253 1/20 0.61
ALPG P10696 1/20 0.61
ALOX15 P16050 1/20 0.61
ALOX12 P18054 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
EGFR P00533 2/20 0.50
MAPT P10636 4/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
CASP1 P29466 1/20 0.49

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
SCHEMBL5377726 1.00 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL5377716 1.00 ALDH1A1 (0.61) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL7963145 0.88 PKM (0.57) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL7963152 0.88 PKM (0.57) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL7963148 0.88 PKM (0.57) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL7966614 0.84 EGFR (0.45) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL7966617 0.84 EGFR (0.45) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL7966616 0.84 EGFR (0.45) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL7967179 0.84 SMN1; SMN2 (0.44) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A
SCHEMBL7967176 0.84 SMN1; SMN2 (0.44) ALDH1A1HPGDSMN1; SMN2KDM4EKMT2A

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 10 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
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-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 ALDH1A1 4263/4885HPGD 2528/4885SMN1; 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.