SCHEMBL6005258

SCHEMBL6005258

O=C(O)[C@H](Cc1ccc(F)c(F)c1)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.49
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
PPARA Q07869 2/20 0.44
PPARD Q03181 1/20 0.44
PPARG P37231 1/20 0.40
CPA1 P15085 1/20 0.40
ESR1 P03372 2/20 0.39
ESR2 Q92731 2/20 0.39
DPP4 P27487 1/20 0.39
P4HTM Q9NXG6 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PIN1 Q13526 1/20 0.38
MME P08473 1/20 0.38

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
SCHEMBL9896517 0.87 PTGS1 (0.57) PTPN1PTGS1PTGS2PPARAPPARD
SCHEMBL6005803 0.82 PPARA (0.50) PTPN1PTGS1PTGS2PPARAPPARD
SCHEMBL8873187 0.81 SLC1A1 (0.56) PTGS1PTGS2PPARAPPARDPPARG
SCHEMBL4664796 0.80 PPARA (0.56) PTPN1PTGS1PTGS2PPARAPPARD
SCHEMBL4610922 0.79 P4HTM (0.52) PTPN1PTGS1PTGS2PPARAPPARG
SCHEMBL12627633 0.79 CPB2 (0.39) PTPN1CPA1DPP4PIN1
SCHEMBL5813461 0.78 LDHA (0.51) PTGS1PTGS2PPARAPPARGDPP4
SCHEMBL27525650 0.76 CHRM1 (0.47) PTPN1PTGS1PTGS2PPARAPPARD
SCHEMBL29174149 0.76 LDHA (0.59) PTGS1PTGS2PPARAPPARDPPARG
SCHEMBL7230282 0.75 KDM6B (0.61) PPARAPPARGDPP4PIN1

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-7105509-B2 Benzodiazepine derivatives as APP modulators MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20040082572-A1 Benzodiazepine derivatives as app modulators MERCK SHARPE & DOHME LIMITED (GB) 2004-04-29 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-20040082572-A1 Benzodiazepine derivatives as app modulators BACE1, PSEN1, APP PTPN1 4178/4885PTGS1 650/4885PTGS2 2126/4885

“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.