SCHEMBL6893466

SCHEMBL6893466

CSc1ncn2c(C3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)csc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 1/20 0.35
PTGS1 P23219 2/20 0.34
ESR1 P03372 1/20 0.34
PDE4A P27815 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ABCC2 Q92887 1/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
FAP Q12884 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
SCHEMBL7626576 0.88 CACNA1C (0.34) CACNA1CPTGS1ESR1PDE4AMEN1
SCHEMBL7631378 0.86 PTGS1 (0.33) CACNA1CPTGS1ESR1PDE4AMEN1
SCHEMBL6886179 0.85 CACNA1C (0.35) CACNA1CPTGS1ESR1PDE4AMEN1
SCHEMBL7634442 0.84 PTGS1 (0.32) CACNA1CPTGS1ESR1PDE4AMEN1
SCHEMBL6892390 0.83 CACNA1C (0.34) CACNA1CPTGS1ESR1PDE4AABCC2
SCHEMBL7729552 0.81 L3MBTL1 (0.41) FAP
SCHEMBL6770488 0.80 CACNA1C (0.34) CACNA1CPTGS1ESR1PDE4AABCC2
SCHEMBL6893606 0.80 CACNA1C (0.34) CACNA1CPTGS1ESR1PDE4AABCC2
SCHEMBL6772192 0.80 CACNA1C (0.34) CACNA1CPTGS1ESR1PDE4AABCC2
SCHEMBL6895949 0.80 CACNA1C (0.34) CACNA1CPTGS1ESR1PDE4AABCC2

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-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 US disclosed
EP-1101766-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-05-23 EP 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-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 CACNA1C 3729/4885PTGS1 1759/4885ESR1 4489/4885

“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.