SCHEMBL3614033

SCHEMBL3614033

Cn1nnc(-c2cc(C(=O)O)sc2C(=O)O)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.37
MAPK10 P53779 1/20 0.37
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPK14 Q16539 1/20 0.35
GPR35 Q9HC97 1/20 0.35
EPHX2 P34913 1/20 0.34
DAO P14920 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PDK2 Q15119 1/20 0.33
TP53 P04637 2/20 0.32
RAB9A P51151 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
SCHEMBL3608687 0.89 MAPK8 (0.42) MAPK8MAPK10KDM4EALDH1A1SMN1; SMN2
SCHEMBL3608683 0.82 MAPK8 (0.42) MAPK8MAPK10KDM4EALDH1A1MAPT
SCHEMBL3600810 0.78 PTPN1 (0.46) KDM4EMAPK14MEN1KMT2AMAPT
SCHEMBL3613736 0.78 MAPK14 (0.46) KDM4EALDH1A1MAPK14MEN1KMT2A
SCHEMBL3609477 0.78 MAPK14 (0.58) KDM4EALDH1A1MAPK14LMNATRPM8
SCHEMBL3605131 0.78 OPRD1 (0.54) MAPK8MAPK10KDM4EALDH1A1MAPK14
SCHEMBL3601669 0.75 MAPK1 (0.50) KDM4EALDH1A1MAPTLMNATRPM8
SCHEMBL3605195 0.74 TRPM8 (0.55) KDM4EALDH1A1MAPK14LMNATRPM8
SCHEMBL3606735 0.74 TRPM8 (0.41) MAPK8MAPK10KDM4EALDH1A1TRPM8
SCHEMBL3612431 0.73 SMN1; SMN2 (0.41) KDM4EALDH1A1MAPK14GPR35DAO

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 MAPK8 3009/4885MAPK10 3344/4885KDM4E 4236/4885

“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.