Sugi Predict

Sugi Predict / Compounds / SCHEMBL354586

SCHEMBL354586

SCHEMBL354586

COc1ccc(CO[C@H](CC=O)C/C=C(\C)Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ FFAR1 O14842 3/20 0.38
▸ IDO1 P14902 2/20 0.37
▸ AGXT P21549 2/20 0.37
▸ HTT P42858 1/20 0.37
▸ LDHA P00338 1/20 0.37
▸ TBXAS1 P24557 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ TCF4 P15884 1/20 0.35
▸ CTNNB1 P35222 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35

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
SCHEMBL13040466 0.86 MEN1 (0.43) MEN1KMT2AFFAR1IDO1AGXT
SCHEMBL355605 0.85 MEN1 (0.47) MEN1KMT2AFFAR1IDO1AGXT
SCHEMBL353344 0.84 MEN1 (0.43) MEN1KMT2AFFAR1IDO1AGXT
SCHEMBL17305606 0.84 MEN1 (0.43) MEN1KMT2AFFAR1IDO1AGXT
SCHEMBL15341511 0.78 IDO1 (0.41) FFAR1IDO1AGXTHTTLDHA
SCHEMBL17305607 0.76 MEN1 (0.37) MEN1KMT2AFFAR1IDO1AGXT
SCHEMBL10100258 0.76 MEN1 (0.37) MEN1KMT2AFFAR1IDO1AGXT
SCHEMBL21996211 0.74 IDO1 (0.46) IDO1AGXTHTTLDHANPC1
SCHEMBL12772124 0.74 IDO1 (0.46) IDO1AGXTHTTLDHANPC1
SCHEMBL13030082 0.74 TBXAS1 (0.41) IDO1AGXTTBXAS1

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 24 patents — showing the first 20. 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-20120041063-A2 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2012-02-16 — — US disclosed
EP-2404912-A2 Process and intermediates for the preparation of antitumoral dihydropyran-2-one compounds Pharma Mar S.A. (ES) 2012-01-11 — — EP disclosed
EP-2032551-B1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR SA (ES) 2011-08-31 — — EP 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-2009080761-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-02 — — WO disclosed
WO-2009080769-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2009-07-02 — — WO 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 (7 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 1953/4885FFAR1 2864/4885
US-20120041063-A2 ANTITUMORAL COMPOUNDS TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53 MEN1 191/4885KMT2A 2897/4885FFAR1 3557/4885
US-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS MEN1 1095/4885KMT2A 4182/4885FFAR1 3793/4885
US-20150342972-A1 ANTITUMORAL COMPOUNDS TP53, CCNY, RB1 MEN1 221/4885KMT2A 1953/4885FFAR1 2864/4885
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS MEN1 1095/4885KMT2A 4182/4885FFAR1 3793/4885
US-20100280108-A1 Antitumoral Compounds TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53 MEN1 191/4885KMT2A 2897/4885FFAR1 3557/4885
US-20110034549-A1 Antitumoral Compounds CCNY, RB1, TPD52L2 MEN1 416/4885KMT2A 1976/4885FFAR1 2442/4885

“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.