SCHEMBL10100258

SCHEMBL10100258

COc1ccc(CO[C@@H](C/C=C(\C)Cl)CCO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TBXAS1 P24557 12/20 0.34
IDO1 P14902 3/20 0.33
AGXT P21549 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C19 P33261 1/20 0.33
APLNR P35414 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
FFAR1 O14842 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
SCHEMBL17305607 1.00 MEN1 (0.37) MEN1KMT2ATBXAS1IDO1AGXT
SCHEMBL23648273 0.84 IDO1 (0.36) TBXAS1IDO1AGXTAPLNR
SCHEMBL23648276 0.82 IDO1 (0.38) TBXAS1IDO1AGXTAPLNRCA1
SCHEMBL14980745 0.82 IDO1 (0.40) TBXAS1IDO1AGXTAPLNRFFAR1
SCHEMBL353344 0.81 MEN1 (0.43) MEN1KMT2ATBXAS1IDO1AGXT
SCHEMBL17305606 0.81 MEN1 (0.43) MEN1KMT2ATBXAS1IDO1AGXT
SCHEMBL29770026 0.78 CNR1 (0.40) TBXAS1IDO1AGXT
SCHEMBL17305608 0.77 TBXAS1 (0.35) TBXAS1IDO1AGXTAPLNRFFAR1
SCHEMBL10100263 0.77 TBXAS1 (0.35) TBXAS1IDO1AGXTAPLNRFFAR1
SCHEMBL354586 0.76 MEN1 (0.46) MEN1KMT2ATBXAS1IDO1AGXT

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 18 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
EP-2231633-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2013-10-30 EP 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
WO-2007144423-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2007-12-21 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 (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 MEN1 221/4885KMT2A 1953/4885TBXAS1 2147/4885
US-20120041063-A2 ANTITUMORAL COMPOUNDS TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53 MEN1 191/4885KMT2A 2897/4885TBXAS1 2556/4885
US-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS MEN1 1095/4885KMT2A 4182/4885TBXAS1 2705/4885
US-20150342972-A1 ANTITUMORAL COMPOUNDS TP53, CCNY, RB1 MEN1 221/4885KMT2A 1953/4885TBXAS1 2147/4885
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS MEN1 1095/4885KMT2A 4182/4885TBXAS1 2705/4885
US-20100280108-A1 Antitumoral Compounds TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53 MEN1 191/4885KMT2A 2897/4885TBXAS1 2556/4885
US-20120190870-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS MEN1 1095/4885KMT2A 4182/4885TBXAS1 2705/4885
US-20110034549-A1 Antitumoral Compounds CCNY, RB1, TPD52L2 MEN1 416/4885KMT2A 1976/4885TBXAS1 1860/4885

“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.