SCHEMBL15948348

SCHEMBL15948348

NC(=O)CCC(NC(=O)COc1ccc(C(=O)c2ccc(N=C=S)cc2)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.41
▸ CA1 P00915 4/20 0.41
▸ TMPRSS15 P98073 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PRSS1 P07477 3/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GPR34 Q9UPC5 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL14821759 0.92 CA2 (0.41) CA2CA1TMPRSS15SMN1; SMN2HTT
SCHEMBL14821498 0.92 TMPRSS15 (0.44) CA2CA1TMPRSS15SMN1; SMN2HTT
SCHEMBL14821760 0.91 CA2 (0.40) CA2CA1TMPRSS15KMT2APRSS1
SCHEMBL14821755 0.90 ITGB3 (0.41) CA2CA1TMPRSS15KMT2AALDH1A1
SCHEMBL15948334 0.90 TMPRSS15 (0.45) CA2CA1TMPRSS15SMN1; SMN2HTT
SCHEMBL14821750 0.85 CA2 (0.39) CA2CA1TMPRSS15KMT2APRSS1
SCHEMBL14821124 0.85 SMN1; SMN2 (0.46) TMPRSS15SMN1; SMN2HTTKMT2AALDH1A1
SCHEMBL14821506 0.84 TMPRSS15 (0.45) CA2CA1TMPRSS15KMT2APRSS1
SCHEMBL15948342 0.83 TMPRSS15 (0.44) CA2CA1TMPRSS15SMN1; SMN2HTT
SCHEMBL14821754 0.83 CA2 (0.40) CA2CA1TMPRSS15KMT2APRSS1

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 CA2 513/4885CA1 1291/4885TMPRSS15 1400/4885

“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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