SCHEMBL10100263

SCHEMBL10100263

CC#CC[C@@H](CCO[Si](C)(C)C(C)(C)C)OCc1ccc(OC)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.35
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
APLNR P35414 1/20 0.33
FFAR1 O14842 3/20 0.32
APP P05067 4/20 0.32

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
SCHEMBL17305608 1.00 TBXAS1 (0.35) TBXAS1IDO1AGXTAPLNRFFAR1
SCHEMBL14980745 0.84 IDO1 (0.40) TBXAS1IDO1AGXTAPLNRFFAR1
SCHEMBL23648276 0.82 IDO1 (0.38) TBXAS1IDO1AGXTAPLNRAPP
SCHEMBL23648273 0.81 IDO1 (0.36) TBXAS1IDO1AGXTAPLNRAPP
SCHEMBL10100258 0.77 MEN1 (0.37) TBXAS1IDO1AGXTAPLNRFFAR1
SCHEMBL17305607 0.77 MEN1 (0.37) TBXAS1IDO1AGXTAPLNRFFAR1
SCHEMBL12047343 0.75 HDAC2 (0.36) TBXAS1IDO1AGXT
SCHEMBL29770026 0.74 CNR1 (0.40) TBXAS1IDO1AGXT
SCHEMBL14587571 0.73 TBXAS1 (0.45) TBXAS1
SCHEMBL15172744 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9827257-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2017-11-28 US disclosed
US-9750759-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2017-09-05 US disclosed
EP-2597091-B1 Antitumoral Compounds PHARMA MAR SA (ES) 2016-04-20 EP disclosed
US-20150344454-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2015-12-03 US disclosed
US-20150342972-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2015-12-03 US disclosed
US-9187445-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2015-11-17 US disclosed
US-8710264-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2014-04-29 US disclosed
US-8501968-B2 Antitumoral dihydropyran-2-one compounds PHARMAMAR, S.A. (ES) 2013-08-06 US disclosed
EP-2597091-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2013-05-29 EP disclosed
US-8324406-B2 Antitumoral dihydropyran-2-one compounds PHARMA MAR, S.A. (ES) 2012-12-04 US disclosed
US-20120190870-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS MARTIN LOPEZ MA JESUS (ES) 2012-07-26 US disclosed
US-20120041063-A2 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2012-02-16 US disclosed
US-20110034549-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2011-02-10 US disclosed
US-20100280108-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2010-11-04 US disclosed
US-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2010-02-25 US disclosed
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-23 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 (8 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-20150344454-A1 ANTITUMORAL COMPOUNDS TP53, CCNY, RB1 TBXAS1 2147/4885IDO1 1187/4885AGXT 274/4885
US-20120041063-A2 ANTITUMORAL COMPOUNDS TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53 TBXAS1 2556/4885IDO1 2335/4885AGXT 774/4885
US-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS TBXAS1 2705/4885IDO1 3750/4885AGXT 3365/4885
US-20150342972-A1 ANTITUMORAL COMPOUNDS TP53, CCNY, RB1 TBXAS1 2147/4885IDO1 1187/4885AGXT 274/4885
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS TBXAS1 2705/4885IDO1 3750/4885AGXT 3365/4885
US-20100280108-A1 Antitumoral Compounds TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53 TBXAS1 2556/4885IDO1 2335/4885AGXT 774/4885
US-20120190870-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS TBXAS1 2705/4885IDO1 3750/4885AGXT 3365/4885
US-20110034549-A1 Antitumoral Compounds CCNY, RB1, TPD52L2 TBXAS1 1860/4885IDO1 1331/4885AGXT 253/4885

“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.