SCHEMBL15948350

SCHEMBL15948350

O=C(O)CC(NC(=O)CCCOc1ccc(C(=O)c2ccc(N=C=S)cc2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS15 P98073 7/20 0.43
▸ PPARA Q07869 1/20 0.42
▸ ITGB3 P05106 3/20 0.40
▸ ITGA2B P08514 3/20 0.40
▸ SUCNR1 Q9BXA5 5/20 0.40
▸ PRSS1 P07477 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL15946453 0.95 TMPRSS15 (0.44) TMPRSS15PPARAITGB3ITGA2BSUCNR1
SCHEMBL14821500 0.92 TMPRSS15 (0.43) TMPRSS15PPARAITGB3ITGA2BPRSS1
SCHEMBL14821509 0.92 TMPRSS15 (0.43) TMPRSS15PPARAITGB3ITGA2BSUCNR1
SCHEMBL15948343 0.91 PPARA (0.44) TMPRSS15PPARAITGB3ITGA2B
SCHEMBL14821124 0.88 SMN1; SMN2 (0.46) TMPRSS15ALDH1A1POLBL3MBTL1
SCHEMBL14821755 0.87 ITGB3 (0.41) TMPRSS15PPARAITGB3ITGA2BPRSS1
SCHEMBL14821496 0.87 TMPRSS15 (0.44) TMPRSS15PPARAITGB3ITGA2BPRSS1
SCHEMBL14821505 0.86 TMPRSS15 (0.44) TMPRSS15PPARAITGB3ITGA2BSUCNR1
SCHEMBL15946454 0.85 TMPRSS15 (0.43) TMPRSS15PPARA
SCHEMBL14821511 0.84 TMPRSS15 (0.43) TMPRSS15PPARAITGB3ITGA2BPRSS1

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 3 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-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 3425/4885ITGB3 4258/4885

“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.

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