SCHEMBL3435150

SCHEMBL3435150

NC(=S)N1CCC(CO)CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
MGLL Q99685 2/20 0.34
PHGDH O43175 1/20 0.34
EPHX2 P34913 2/20 0.32
AKR1C3 P42330 1/20 0.31
KMT2A Q03164 1/20 0.30
TYMP P19971 1/20 0.30

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
SCHEMBL1873145 0.83 AKR1C3 (0.36) MGLLPHGDHAKR1C3TYMP
SCHEMBL3316476 0.79 MGLL (0.38) ALOX5MGLLPHGDHEPHX2AKR1C3
SCHEMBL4578235 0.77 ALOX5 (0.44) ALOX5EPHX2AKR1C3TYMP
SCHEMBL9381035 0.77 F2 (0.46) ALOX5
SCHEMBL9059540 0.77 F2 (0.46) ALOX5
SCHEMBL4358273 0.77 KMT2A (0.37) ALOX5MGLLPHGDHEPHX2AKR1C3
SCHEMBL14311846 0.74 ALOX5 (0.41) ALOX5EPHX2AKR1C3TYMP
SCHEMBL1103813 0.74 ALOX5 (0.35) ALOX5EPHX2AKR1C3
SCHEMBL2227435 0.73 GPR119 (0.37) MGLLPHGDH
SCHEMBL14603071 0.71 PHGDH (0.58) MGLLPHGDHKMT2A

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
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 ALOX5 2252/4885MGLL 4171/4885PHGDH 2552/4885

“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.