SCHEMBL1505213

SCHEMBL1505213

COCCOc1ccc(OC(F)(F)F)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.47
SCN10A Q9Y5Y9 2/20 0.47
CYP2C9 P11712 2/20 0.45
CYP1A2 P05177 1/20 0.45
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 2/20 0.45
HTT P42858 2/20 0.44
IGF2BP2 Q9Y6M1 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 4/20 0.43
KMT2A Q03164 2/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
KCNK2 O95069 1/20 0.43
KCNK10 P57789 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
PIM1 P11309 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL27051578 0.90 PTGER4 (0.43) SCN8ASCN10AFFAR1FFAR4HTT
SCHEMBL27051367 0.88 PPARD (0.47) SCN8ASCN10AFFAR1FFAR4IGF2BP2
SCHEMBL27051580 0.87 ALDH1A1 (0.48) SCN8ASCN10AFFAR1FFAR4HTT
SCHEMBL27051378 0.85 TSHR (0.49) CYP2C9IGF2BP2ALDH1A1KDM4EKMT2A
SCHEMBL987280 0.83 KDM4E (0.51) SCN8ASCN10AFFAR4HTTIGF2BP2
SCHEMBL18300979 0.79 TSHR (0.49) HTTALDH1A1KDM4EKMT2ACYP3A4
SCHEMBL1505106 0.79 ALDH1A1 (0.49) CYP2C9HTTALDH1A1KDM4EKMT2A
SCHEMBL7623225 0.79 ALDH1A1 (0.50) HTTALDH1A1KDM4EMRGPRX4MAPT
SCHEMBL27051423 0.78 GAA (0.60) SCN8ASCN10ACYP2C9IGF2BP2ALDH1A1
SCHEMBL27051403 0.78 ALDH1A1 (0.49) SCN8ASCN10ACYP2C9IGF2BP2ALDH1A1

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
WO-2011027156-A1 BENZODIAZEPINE DERIVATIVES FOR TREATING HEPATITIS C INFECTION ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 WO disclosed
US-20110059043-A1 CHEMICAL COMPOUNDS ARROW THERAPEUTICS LIMITED (GB) 2011-03-10 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-20110059043-A1 CHEMICAL COMPOUNDS CYP2E1, CNR1, CYP3A5 SCN8A 2792/4885SCN10A 1828/4885CYP2C9 35/4885

“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.