SCHEMBL2692437

SCHEMBL2692437

CCOC(=O)c1ccc(Cc2nc(Br)sc2C(=O)OCC)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.49
DBF4 Q9UBU7 7/20 0.49
RARA P10276 1/20 0.48
RARB P10826 1/20 0.48
RARG P13631 1/20 0.48
TRPM8 Q7Z2W7 4/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ESR1 P03372 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
ESR2 Q92731 1/20 0.45
CA14 Q9ULX7 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.44

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
SCHEMBL623716 0.88 MAPT (0.58) CDC7DBF4TRPM8SMN1; SMN2NPC1
SCHEMBL2690687 0.88 PTPN11 (0.55) CDC7DBF4TRPM8SMN1; SMN2NPC1
SCHEMBL1918920 0.88 CDC7 (0.56) CDC7DBF4RARARARBRARG
SCHEMBL1920626 0.87 PTPN11 (0.51) CDC7DBF4TRPM8LMNAKDM4E
SCHEMBL1919487 0.86 CDC7 (0.58) CDC7DBF4RARARARBRARG
SCHEMBL1919045 0.85 MEN1 (0.61) CDC7DBF4TRPM8NPC1KDM4E
SCHEMBL2694074 0.84 HPGD (0.47) CDC7DBF4TRPM8SMN1; SMN2NPC1
SCHEMBL2694503 0.84 PTPN11 (0.56) CDC7DBF4NPC1HTTRAB9A
SCHEMBL2690624 0.84 PTPN11 (0.48) CDC7DBF4TRPM8SMN1; SMN2NPC1
SCHEMBL1919769 0.83 DHODH (0.50) CDC7DBF4TRPM8SMN1; SMN2NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 CDC7 1875/4885DBF4 3789/4885RARA 734/4885

“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.