SCHEMBL5364467

SCHEMBL5364467

CCc1cc(C)c(C=O)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TMIGD3 P0DMS9 2/20 0.32
ADORA1 P30542 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
F2 P00734 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ERN1 O75460 1/20 0.30
PIK3CD O00329 1/20 0.30
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
HCK P08631 1/20 0.30
SRC P12931 1/20 0.30

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
SCHEMBL7254069 0.82 CYP2A6 (0.33) ALDH1A1ERN1
SCHEMBL16901830 0.81 MAPK1 (0.34) ALDH1A1MAPK1MEN1LMNAMAPT
SCHEMBL27968493 0.78 ALDH1A1 (0.43) ALDH1A1MAPK1GAAMEN1LMNA
SCHEMBL7254026 0.76
SCHEMBL16901831 0.76 PIK3CD (0.32) PIK3CDABL1EGFRHCKSRC
SCHEMBL8697208 0.73 ALDH1A1 (0.38) ALDH1A1MAPK1GAAMEN1MAPT
SCHEMBL18433459 0.73 ALDH1A1 (0.30) ALDH1A1
SCHEMBL12215859 0.73 PIK3CD (0.41) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL5367283 0.73
SCHEMBL7259469 0.72 CA2 (0.30)

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
US-20110301144-A1 Kinase Antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-12-08 US disclosed
US-20110269779-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF OPHTHALMIC CONDITIONS INTELLIKINE, INC. (US) 2011-11-03 US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 US disclosed
US-20100009963-A1 KINASE ANTAGONISTS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-01-14 US disclosed
US-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-12-20 US disclosed
US-7202265-B2 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. (US) 2007-04-10 US disclosed
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease SUGEN, INC. 2005-09-08 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 (6 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-20070293516-A1 Antagonists of a lipid kinase such as a PI3 kinase, protein tyrosine kinase, and/or protein serine-threonine kinases such as mTOR; 1-isopropyl-3-(3-methoxy-4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine MTOR, PI4KA, PIK3CA ALDH1A1 4725/4885MAPK1 294/4885GAA 1166/4885
US-20100009963-A1 KINASE ANTAGONISTS MTOR, RPS6KA3, AKT3 ALDH1A1 4833/4885MAPK1 248/4885GAA 1369/4885
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 ALDH1A1 4739/4885MAPK1 333/4885GAA 1395/4885
US-20110301144-A1 Kinase Antagonists MTOR, RPS6KA3, AKT3 ALDH1A1 4833/4885MAPK1 248/4885GAA 1369/4885
US-20110269779-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF OPHTHALMIC CONDITIONS MTOR, PIK3C2B, PRKCH ALDH1A1 4570/4885MAPK1 165/4885GAA 1358/4885
US-20050197382-A1 Indolinone combinatorial libraries and related products and methods for the treatment of disease FRK, PTK2, DSTYK ALDH1A1 2044/4885MAPK1 424/4885GAA 4588/4885

“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.