SCHEMBL10097751

SCHEMBL10097751

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nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.39
XPO1 O14980 1/20 0.35
CA1 P00915 2/20 0.31
CA4 P22748 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA3 P07451 1/20 0.31
MEN1 O00255 1/20 0.31
JAK2 O60674 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 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
SCHEMBL13790216 0.88 CCR5 (0.38) CCR5XPO1CA1CA4CA14
SCHEMBL11939968 0.78 TUBB4A (0.37) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL10097806 0.74 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10114797 0.71 PDCD4 (0.38) XPO1CA1CA4CA14CA3
SCHEMBL12202938 0.70 MEN1 (0.38) CCR5CA1CA4CA14CA3
SCHEMBL15946714 0.70 MEN1 (0.38) CCR5CA1CA4CA14CA3
SCHEMBL14274136 0.65 PDCD4 (0.38) CCR5XPO1CA1CA4CA14
SCHEMBL17345370 0.64 PDCD4 (0.43) CCR5XPO1CA1CA4CA14
SCHEMBL17345371 0.64 PDCD4 (0.36) CCR5CA1CA4CA14CA3
SCHEMBL8885618 0.63 PDCD4 (0.36) CCR5CA1CA4CA14CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501968-B2 Antitumoral dihydropyran-2-one compounds PHARMAMAR, S.A. (ES) 2013-08-06 US disclosed
US-8501968-B2 Antitumoral dihydropyran-2-one compounds PHARMAMAR, S.A. (ES) 2013-08-06 US disclosed
US-8324406-B2 Antitumoral dihydropyran-2-one compounds PHARMA MAR, S.A. (ES) 2012-12-04 US 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-20120190870-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS MARTIN LOPEZ MA JESUS (ES) 2012-07-26 US disclosed
EP-2032551-B9 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR SA (ES) 2012-02-29 EP 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-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2010-02-25 US disclosed
US-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2010-02-25 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 (2 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-20100048690-A2 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS CCR5 3902/4885XPO1 2035/4885CA1 299/4885
US-20120190870-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS RPLP1, PKD1, KRAS CCR5 3902/4885XPO1 2035/4885CA1 299/4885

“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.