SCHEMBL14821124

SCHEMBL14821124

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ RECQL P46063 1/20 0.46
▸ TMPRSS15 P98073 9/20 0.45
▸ ALDH1A1 P00352 3/20 0.42
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GPR34 Q9UPC5 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL15948334 0.91 TMPRSS15 (0.45) SMN1; SMN2TMPRSS15ALDH1A1HTTL3MBTL1
SCHEMBL14821119 0.91 SMN1; SMN2 (0.46) SMN1; SMN2RECQLTMPRSS15ALDH1A1HTT
SCHEMBL14821498 0.89 TMPRSS15 (0.44) SMN1; SMN2TMPRSS15ALDH1A1HTTL3MBTL1
SCHEMBL15946453 0.89 TMPRSS15 (0.44) SMN1; SMN2RECQLTMPRSS15
SCHEMBL15948350 0.88 TMPRSS15 (0.43) TMPRSS15ALDH1A1L3MBTL1POLB
SCHEMBL15948348 0.85 CA2 (0.41) SMN1; SMN2TMPRSS15ALDH1A1HTTL3MBTL1
SCHEMBL14821494 0.85 TMPRSS15 (0.44) TMPRSS15
SCHEMBL14821495 0.83 TMPRSS15 (0.42) TMPRSS15
SCHEMBL14821499 0.83 TMPRSS15 (0.45) SMN1; SMN2TMPRSS15ALDH1A1HTTL3MBTL1
SCHEMBL47281 0.82 TMPRSS15 (0.43) SMN1; SMN2RECQLTMPRSS15ALDH1A1HTT

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 4 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
WO-2013041204-A1 NOVEL ISOCYANATE AND ISOTHIOCYANATE COMPOUNDS FOR CANCER TREATMENT 2LUTION GmbH (DE) 2013-03-28 — — 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 (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 SMN1; SMN2 4324/4885RECQL 3713/4885TMPRSS15 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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