SCHEMBL3605195

SCHEMBL3605195

Cn1nnc(-c2cc(C(=O)O)sc2-c2cccc(F)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.55
MAPK14 Q16539 3/20 0.46
CSNK1D P48730 2/20 0.45
GSK3A P49840 2/20 0.45
GSK3B P49841 2/20 0.45
DYRK1A Q13627 2/20 0.45
AURKB Q96GD4 2/20 0.45
PLK4 O00444 1/20 0.45
AURKA O14965 1/20 0.45
DAPK3 O43293 1/20 0.45
CHEK2 O96017 1/20 0.45
CDK1 P06493 1/20 0.45
PIM1 P11309 1/20 0.45
CDK2 P24941 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
MAPK9 P45984 1/20 0.45
PLK1 P53350 1/20 0.45
CSNK2A1 P68400 1/20 0.45
PLK3 Q9H4B4 1/20 0.45

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
SCHEMBL3609477 0.89 MAPK14 (0.58) TRPM8MAPK14KDM4EALDH1A1LMNA
SCHEMBL3613736 0.86 MAPK14 (0.46) TRPM8MAPK14CSNK1DGSK3AGSK3B
SCHEMBL3601669 0.85 MAPK1 (0.50) TRPM8KDM4EALDH1A1LMNA
SCHEMBL3601335 0.80 CSNK1D (0.47) TRPM8MAPK14CSNK1DGSK3AGSK3B
SCHEMBL3605131 0.79 OPRD1 (0.54) MAPK14CSNK2A1KDM4EALDH1A1LMNA
SCHEMBL3605066 0.77 NPC1 (0.44) TRPM8PDK2KMO
SCHEMBL3606735 0.76 TRPM8 (0.41) TRPM8KDM4EALDH1A1
SCHEMBL3614033 0.74 MAPK8 (0.37) TRPM8MAPK14KDM4EALDH1A1LMNA
SCHEMBL3598457 0.74 MAPK14 (0.65) TRPM8MAPK14KDM4EALDH1A1
SCHEMBL3592626 0.74 CSNK1D (0.47) TRPM8MAPK14CSNK1DGSK3AGSK3B

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 TRPM8 2375/4885MAPK14 3384/4885CSNK1D 1628/4885

“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.