SCHEMBL2690701

SCHEMBL2690701

CCOC(=O)c1sc(Br)nc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.48
DBF4 Q9UBU7 5/20 0.48
DHODH Q02127 7/20 0.48
TRPM8 Q7Z2W7 3/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.46
TEAD2 Q15562 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1919671 0.84 PTPN11 (0.47) CDC7DBF4DHODHTRPM8MAPT
SCHEMBL1920374 0.83 TRPM8 (0.64) CDC7DBF4DHODHTRPM8MAPT
SCHEMBL12942046 0.83 PTGS2 (0.46) CDC7DBF4DHODHTRPM8MAPT
SCHEMBL24508985 0.81 TRPM8 (0.64) CDC7DBF4DHODHTRPM8MAPT
SCHEMBL16075311 0.80 ALDH1A1 (0.59) CDC7DBF4DHODHTRPM8MAPT
SCHEMBL954885 0.79 CDC7 (0.69) CDC7DBF4DHODHTRPM8MAPT
SCHEMBL1919084 0.77 ALDH1A1 (0.74) CDC7DBF4DHODHTRPM8ALDH1A1
SCHEMBL1919773 0.77 ALDH1A1 (0.55) CDC7DBF4DHODHTRPM8MAPT
SCHEMBL16399327 0.76 TRPM8 (0.54) CDC7DBF4DHODHTRPM8MAPT
SCHEMBL8232745 0.76 ABL1 (0.39) CDC7DBF4TRPM8MAPTTEAD2

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 3789/4885DHODH 1188/4885

“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.