SCHEMBL13724828

SCHEMBL13724828

O=C(NCBr)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.61
▸ PTPN1 P18031 2/20 0.61
▸ CES2 O00748 1/20 0.55
▸ CES1 P23141 1/20 0.55
▸ MAPK14 Q16539 1/20 0.54
▸ LSS P48449 1/20 0.53
▸ MLYCD O95822 1/20 0.50
▸ MCHR1 Q99705 1/20 0.50
▸ EPHX2 P34913 1/20 0.49
▸ TLR7 Q9NYK1 1/20 0.49
▸ PTGS1 P23219 2/20 0.49
▸ MMP1 P03956 1/20 0.49
▸ TRPV1 Q8NER1 1/20 0.49

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
SCHEMBL4329567 0.85 PTPN1 (0.58) GSK3BPTPN1CES2CES1LSS
SCHEMBL13724678 0.82 CES2 (0.57) GSK3BPTPN1CES2CES1MAPK14
SCHEMBL4102813 0.81 NAMPT (0.60) GSK3BPTPN1MLYCDMCHR1EPHX2
SCHEMBL4187911 0.81 CES2 (0.55) GSK3BPTPN1CES2CES1MAPK14
SCHEMBL10264321 0.81 LSS (0.56) GSK3BPTPN1CES2CES1MAPK14
SCHEMBL5124494 0.79 KDM4E (0.62) GSK3BPTPN1CES2CES1MAPK14
SCHEMBL28968592 0.78 LSS (0.54) GSK3BPTPN1CES2CES1MAPK14
SCHEMBL6358316 0.78 ALDH1A1 (0.69) CES2CES1LSSMLYCDMCHR1
SCHEMBL28800304 0.78 CES2 (0.61) GSK3BPTPN1CES2CES1EPHX2
SCHEMBL182755 0.78 CES2 (0.61) GSK3BPTPN1CES2CES1PTGS1

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-20090197201-A1 FLUOROSURFACTANTS MERCK PATENT GESELLSCHAFT (DE) 2009-08-06 — — 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-20090197201-A1 FLUOROSURFACTANTS CBR3, SCO2, FPR3 GSK3B 4138/4885PTPN1 2436/4885CES2 955/4885

“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.

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