SCHEMBL3609477

SCHEMBL3609477

Cn1nnc(-c2cc(C(=O)O)sc2-c2ccc(F)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.58
TRPM8 Q7Z2W7 2/20 0.43
PTGS1 P23219 2/20 0.43
PTGS2 P35354 1/20 0.43
LMNA P02545 1/20 0.41
NOTUM Q6P988 2/20 0.38
OPRD1 P41143 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MGLL Q99685 1/20 0.36
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36

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
SCHEMBL3613736 0.90 MAPK14 (0.46) MAPK14TRPM8LMNANOTUMOPRD1
SCHEMBL3605195 0.89 TRPM8 (0.55) MAPK14TRPM8LMNANOTUMKDM4E
SCHEMBL3605131 0.87 OPRD1 (0.54) MAPK14LMNAOPRD1KDM4EALDH1A1
SCHEMBL3598457 0.84 MAPK14 (0.65) MAPK14TRPM8PTGS1PTGS2KDM4E
SCHEMBL3609666 0.81 TRPM8 (0.47) MAPK14TRPM8PTGS2KDM4E
SCHEMBL3601669 0.80 MAPK1 (0.50) TRPM8LMNAOPRD1KDM4EALDH1A1
SCHEMBL3602177 0.80 MAPK14 (0.57) MAPK14PTGS1PTGS2LMNANOTUM
SCHEMBL3606735 0.79 TRPM8 (0.41) TRPM8KDM4EALDH1A1
SCHEMBL3601696 0.79 TRPM8 (0.41) TRPM8LMNA
SCHEMBL8985342 0.78 MAPK14 (0.83) MAPK14PTGS1PTGS2NOTUMOPRD1

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-8835476-B2 Synthesis of novel antimicrobials WU FAN (CA) 2014-09-16 US disclosed
US-20100076028-A1 Design and Synthesis of Novel Antimicrobials WU FAN 2010-03-25 US disclosed
WO-2006092059-A1 DESIGN AND SYNTHESIS OF NOVEL ANTIMICROBIALS WU FAN (CA) 2006-09-08 WO 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-20100076028-A1 Design and Synthesis of Novel Antimicrobials MLX, LPXN, TPX2 MAPK14 3384/4885TRPM8 2375/4885PTGS1 1164/4885

“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.