SCHEMBL15946454

SCHEMBL15946454

O=C(O)CCC(NC(=O)CCOc1ccc(C(=O)c2ccc(N=C=S)cc2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS15 P98073 1/20 0.43
▸ PPARA Q07869 1/20 0.42
▸ GART P22102 5/20 0.41
▸ FOLR2 P14207 1/20 0.41
▸ FOLR1 P15328 1/20 0.41
▸ SLC19A1 P41440 1/20 0.41
▸ SLC46A1 Q96NT5 1/20 0.41
▸ FOLH1 Q04609 5/20 0.41
▸ DHFR P00374 3/20 0.40
▸ MMP3 P08254 1/20 0.39
▸ ATIC P31939 2/20 0.39
▸ SHMT1 P34896 2/20 0.39
▸ SHMT2 P34897 2/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38

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
SCHEMBL15948343 0.95 PPARA (0.44) TMPRSS15PPARAGARTFOLR2FOLR1
SCHEMBL14821760 0.92 CA2 (0.40) TMPRSS15PPARAGARTFOLR2FOLR1
SCHEMBL14821521 0.92 TMPRSS15 (0.43) TMPRSS15PPARAGARTFOLR2FOLR1
SCHEMBL15946453 0.91 TMPRSS15 (0.44) TMPRSS15PPARAMMP3
SCHEMBL14821498 0.91 TMPRSS15 (0.44) TMPRSS15GARTFOLR2FOLR1SLC19A1
SCHEMBL14821755 0.87 ITGB3 (0.41) TMPRSS15PPARAGARTFOLR2FOLR1
SCHEMBL14821496 0.87 TMPRSS15 (0.44) TMPRSS15PPARAMMP3CA1CA2
SCHEMBL14821748 0.87 PPARA (0.44) TMPRSS15PPARAGARTFOLR2FOLR1
SCHEMBL15948350 0.85 TMPRSS15 (0.43) TMPRSS15PPARA
SCHEMBL14821753 0.84 TMPRSS15 (0.42) TMPRSS15FOLH1DHFRCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2758367-B1 NOVEL ISOCYANATE AND ISOTHIOCYANATE COMPOUNDS FOR CANCER TREATMENT DoubleHill GmbH (DE) 2015-11-18 — — EP disclosed
US-8987316-B2 Isocyanate and isothiocyanate compounds for cancer treatment DoubleHill GmbH (DE) 2015-03-24 — — US disclosed
US-8987316-B2 Isocyanate and isothiocyanate compounds for cancer treatment DoubleHill GmbH (DE) 2015-03-24 — — US disclosed
US-20140228419-A1 Novel Isocyanate And Isothiocyanate Compounds For Cancer Treatment DoubleHill GmbH (DE) 2014-08-14 — — US disclosed
US-20140228419-A1 Novel Isocyanate And Isothiocyanate Compounds For Cancer Treatment DoubleHill GmbH (DE) 2014-08-14 — — 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 (1 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-20140228419-A1 Novel Isocyanate And Isothiocyanate Compounds For Cancer Treatment IDH3A, IDH3B, IDH2 TMPRSS15 1400/4885PPARA 3425/4885GART 3553/4885

“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.

Send feedback