Sugi Predict

Sugi Predict / Compounds / SCHEMBL355605

SCHEMBL355605

SCHEMBL355605

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ IDO1 P14902 2/20 0.39
▸ AGXT P21549 2/20 0.39
▸ FFAR1 O14842 3/20 0.36
▸ TBXAS1 P24557 4/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ APP P05067 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ LDHA P00338 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34

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 0.89 MEN1 (0.43) MEN1KMT2AIDO1AGXTFFAR1
SCHEMBL354586 0.85 MEN1 (0.46) MEN1KMT2AIDO1AGXTFFAR1
SCHEMBL17305606 0.82 MEN1 (0.43) MEN1KMT2AIDO1AGXTFFAR1
SCHEMBL353344 0.82 MEN1 (0.43) MEN1KMT2AIDO1AGXTFFAR1
SCHEMBL17305607 0.74 MEN1 (0.37) MEN1KMT2AIDO1AGXTFFAR1
SCHEMBL10100258 0.74 MEN1 (0.37) MEN1KMT2AIDO1AGXTFFAR1
SCHEMBL354135 0.72 IDO1 (0.37) IDO1AGXTFFAR1TBXAS1CYP3A4
SCHEMBL26985881 0.68 CYP2C9 (0.53) IDO1AGXTTBXAS1TSHRAPP
SCHEMBL11234423 0.68 IDO1 (0.52) IDO1AGXTTBXAS1APPCA1
SCHEMBL11232686 0.68 IDO1 (0.52) IDO1AGXTTBXAS1APPHTT

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 25 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
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-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-2404913-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

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 1953/4885IDO1 1187/4885
US-20120041063-A2 ANTITUMORAL COMPOUNDS TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53 MEN1 191/4885KMT2A 2897/4885IDO1 2335/4885
US-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS MEN1 1095/4885KMT2A 4182/4885IDO1 3750/4885
US-20150342972-A1 ANTITUMORAL COMPOUNDS TP53, CCNY, RB1 MEN1 221/4885KMT2A 1953/4885IDO1 1187/4885
US-20090186938-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS MEN1 1095/4885KMT2A 4182/4885IDO1 3750/4885
US-20100280108-A1 Antitumoral Compounds TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53 MEN1 191/4885KMT2A 2897/4885IDO1 2335/4885
US-20110034549-A1 Antitumoral Compounds CCNY, RB1, TPD52L2 MEN1 416/4885KMT2A 1976/4885IDO1 1331/4885

“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.