SCHEMBL4599503

SCHEMBL4599503

CCCCCNC(=S)NCCN

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
DPP7 Q9UHL4 1/20 0.46
EPHX1 P07099 6/20 0.45
RRM1 P23921 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
CASP2 P42575 1/20 0.41

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
SCHEMBL10948478 0.93 MEN1 (0.48) EPHX2EPHX1ALDH1A1CYP2C9HPGD
SCHEMBL462123 0.89 EPHX2 (0.55) EPHX2EPHX1KDM4EALDH1A1MEN1
SCHEMBL1273832 0.86 EPHX1 (0.58) EPHX2EPHX1KDM4EMEN1KMT2A
SCHEMBL11594937 0.86 EPHX1 (0.58) EPHX2EPHX1KDM4EMEN1KMT2A
SCHEMBL11596495 0.86 EPHX1 (0.58) EPHX2EPHX1KDM4EMEN1KMT2A
SCHEMBL11595110 0.86 EPHX1 (0.58) EPHX2EPHX1KDM4EMEN1KMT2A
SCHEMBL11594414 0.86 EPHX1 (0.58) EPHX2EPHX1KDM4EMEN1KMT2A
SCHEMBL11593203 0.86 EPHX1 (0.58) EPHX2EPHX1KDM4EMEN1KMT2A
SCHEMBL5081267 0.86 EPHX1 (0.58) EPHX2EPHX1KDM4EMEN1KMT2A
SCHEMBL11596219 0.86 EPHX1 (0.58) EPHX2EPHX1KDM4EMEN1KMT2A

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
US-8653259-B2 Process for synthesizing heterocyclic compounds SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-02-18 US disclosed
US-20080146797-A1 PROCESS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-06-19 US disclosed
US-20040242560-A1 Process for synthesizing heterocyclic compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-02 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-20080146797-A1 PROCESS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS TST, NISCH, CLIC4 EPHX2 1958/4885DPP7 2518/4885EPHX1 2543/4885
US-20040242560-A1 Process for synthesizing heterocyclic compounds TST, NISCH, CLIC4 EPHX2 2327/4885DPP7 2894/4885EPHX1 2554/4885

“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.