SCHEMBL3602177

SCHEMBL3602177

Cn1nnnc1-c1cc(C(=O)O)sc1-c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.57
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.40
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NOTUM Q6P988 2/20 0.37
STAT5B P51692 1/20 0.36
OPRD1 P41143 1/20 0.36
CCR3 P51677 1/20 0.36
ESR1 P03372 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
SCHEMBL3613039 0.89 KDM4E (0.43) MAPK14ALDH1A1HPGDLMNAABCC9
SCHEMBL3601335 0.87 CSNK1D (0.47) MAPK14ALDH1A1LMNAHIF1ANPSR1
SCHEMBL3609536 0.86 OPRD1 (0.54) MAPK14PTGS2PTGS1ALDH1A1HPGD
SCHEMBL3604669 0.85 MAPK14 (0.65) MAPK14PTGS2PTGS1ALDH1A1HPGD
SCHEMBL3599918 0.81 MAPK14 (0.40) MAPK14PTGS2ALDH1A1HPGDESR1
SCHEMBL3609477 0.80 MAPK14 (0.58) MAPK14PTGS2PTGS1ALDH1A1LMNA
SCHEMBL3596790 0.79 MAPT (0.44) ALDH1A1HPGDLMNAHIF1ANPSR1
SCHEMBL3603091 0.79 PTPN1 (0.45) MAPK14ALDH1A1HPGDABCC9ABCC8
SCHEMBL3613774 0.78 HSD11B1 (0.47) ALDH1A1HPGDLMNAHIF1ANPSR1
SCHEMBL8985342 0.77 MAPK14 (0.83) MAPK14PTGS2PTGS1HPGDNOTUM

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 2 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

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 3384/4885PTGS2 2089/4885PTGS1 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.