SCHEMBL6893879

SCHEMBL6893879

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cn4cnc(C(=O)C(F)(F)F)c4s3)[C@H](C)[C@H]12

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
PTGS1 P23219 1/20 0.32
PDE4A P27815 1/20 0.32
CACNA1C Q13936 1/20 0.32

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
SCHEMBL6888205 0.93 FAP (0.32) ESR1PTGS1PDE4ACACNA1C
SCHEMBL7734743 0.92 ABCC2 (0.32)
SCHEMBL6887157 0.90 PTGS1 (0.33) ESR1PTGS1PDE4ACACNA1C
SCHEMBL7638706 0.90 PTGS1 (0.33) ESR1PTGS1PDE4ACACNA1C
SCHEMBL5236238 0.90 PTGS1 (0.33) ESR1PTGS1PDE4ACACNA1C
SCHEMBL7630946 0.89 CACNA1C (0.34) ESR1PTGS1PDE4ACACNA1C
SCHEMBL6897290 0.89 ESR1 (0.33) ESR1PTGS1PDE4ACACNA1C
SCHEMBL6894208 0.89 ESR1 (0.33) ESR1PTGS1PDE4ACACNA1C
SCHEMBL6886377 0.88 CACNA1C (0.34) ESR1PTGS1PDE4ACACNA1C
SCHEMBL6893770 0.88 CACNA1C (0.34) ESR1PTGS1PDE4ACACNA1C

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 ESR1 4489/4885PTGS1 1759/4885PDE4A 749/4885

“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.