SCHEMBL7631378

SCHEMBL7631378

CC1C(c2csc3c(C=O)ncn23)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)[C@@H]12

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.33
ESR1 P03372 1/20 0.33
PDE4A P27815 1/20 0.33
CACNA1C Q13936 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL7626576 0.87 CACNA1C (0.34) PTGS1ESR1PDE4ACACNA1CMEN1
SCHEMBL6893466 0.86 CACNA1C (0.35) PTGS1ESR1PDE4ACACNA1CMEN1
SCHEMBL6886179 0.84 CACNA1C (0.35) PTGS1ESR1PDE4ACACNA1CMEN1
SCHEMBL7634442 0.83 PTGS1 (0.32) PTGS1ESR1PDE4ACACNA1CMEN1
SCHEMBL7628021 0.80 KDM4E (0.40) PTGS1ESR1MEN1KMT2A
SCHEMBL7628035 0.79 ESR1 (0.33) PTGS1ESR1PDE4ACACNA1C
SCHEMBL7626762 0.79 ESR1 (0.33) PTGS1ESR1PDE4ACACNA1C
SCHEMBL7630479 0.79 CACNA1C (0.34) PTGS1ESR1PDE4ACACNA1CMEN1
SCHEMBL7734759 0.76 ABCC2 (0.32)
SCHEMBL6892382 0.74 ESR1 (0.33) PTGS1ESR1PDE4ACACNA1C

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
EP-1022279-B1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2002-09-04 EP disclosed
US-6310056-B1 2-SUBSTITUTED WITH A IMIDAZO(5,1-B)THIAZOLE GROUP; TREATING INFECTIONS, INCLUDING ANTIBIOTIC RESISTANT BACTERIAL INFECTIONS MEIJI SEIKA KAISHA, LTD. (JP) 2001-10-30 US disclosed
EP-1022279-A1 NEW CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2000-07-26 EP disclosed