SCHEMBL3544040

SCHEMBL3544040

Fc1ccc(Sc2ccc(F)cc2Br)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.39
USP7 Q93009 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK13 O15264 1/20 0.36
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
USP10 Q14694 1/20 0.35
USP47 Q96K76 1/20 0.35

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
SCHEMBL3547054 0.90 MAPK14 (0.40) MAPK14USP7MAPK13PTGS2PTGS1
SCHEMBL3546088 0.87 SLC6A2 (0.40) MAPK14USP7PTGS2PTGS1
SCHEMBL3541807 0.87 ATM (0.40) MAPK14ALDH1A1
SCHEMBL30452220 0.87 ALDH1A1 (0.46) MAPK14USP7ALDH1A1MAPK13PTGS2
SCHEMBL576377 0.87 ALDH1A1 (0.46) MAPK14USP7ALDH1A1MAPK13PTGS2
SCHEMBL3543373 0.80 ATM (0.43) MAPK14MAPK13
SCHEMBL3545874 0.79 PDE7A (0.42) MAPK14ALDH1A1MAPK13
SCHEMBL3543388 0.76 ALDH1A1 (0.40) ALDH1A1
SCHEMBL15208335 0.76 MAPK14 (0.49) MAPK14MAPK13
SCHEMBL3538161 0.76 PDE7A (0.47)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732463-B2 4-(2-phenylsulfanyl-phenyl)-piperidine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2010-06-08 US disclosed
US-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders H.LUNDBECK A/S (DK) 2006-05-11 US disclosed
EP-1626720-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2006-02-22 EP disclosed
WO-2004087156-A1 4-(2-PHENYLSULFANYL-PHENYL)-PIPERIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2004-10-14 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-20060100242-A1 such as 4-[2-(4-Chloro-phenylsulfanyl)-5-trifluoromethyl-phenyl]-piperidine, used as antidepressants and anxiolytic agents; treatment of panic and obsessive compulsive disorders HTR4, HTR5A, TPH1 MAPK14 3486/4885USP7 3504/4885ALDH1A1 167/4885

“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.