SCHEMBL29587648

SCHEMBL29587648

N#Cc1cc(-c2cc(OC(F)(F)F)ccc2F)c(O)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.39
FFAR1 O14842 4/20 0.39
P2RX1 P51575 1/20 0.39
AR P10275 3/20 0.37
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
CYP2C9 P11712 1/20 0.36
SCN5A Q14524 1/20 0.36
GPR3 P46089 2/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34

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
SCHEMBL18587952 1.00 FFAR4 (0.39) FFAR4FFAR1P2RX1ARCNR1
SCHEMBL29587872 0.84 AR (0.41) ARCYP2C9
SCHEMBL18587375 0.84 AR (0.41) ARCYP2C9
SCHEMBL18617452 0.82 ESR1 (0.40) CNR1CNR2
SCHEMBL29588509 0.82 ESR1 (0.40) CNR1CNR2
SCHEMBL18617427 0.81 CYP11B1 (0.42) FFAR4CNR1CNR2
SCHEMBL29587701 0.81 CYP11B1 (0.42) FFAR4CNR1CNR2
SCHEMBL30543206 0.80 FFAR4 (0.49) FFAR4FFAR1P2RX1CYP2C9GPR3
SCHEMBL22228994 0.80 FFAR4 (0.49) FFAR4FFAR1P2RX1CYP2C9GPR3
SCHEMBL29587650 0.80 BIRC5 (0.45) P2RX1ARCNR1CYP2C9

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-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 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-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 FFAR4 2934/4885FFAR1 1278/4885P2RX1 949/4885

“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.