SCHEMBL3333875

SCHEMBL3333875

O=C(O)CCc1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.46
FFAR1 O14842 3/20 0.45
TNIK Q9UKE5 2/20 0.44
CTSK P43235 1/20 0.42
NPY5R Q15761 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
FFAR4 Q5NUL3 3/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL5023264 0.80 TNIK (0.46) TNIKKDR
SCHEMBL7847701 0.77 SRD5A2 (0.56) RXRARXRBRXRGPSEN1PSEN2
SCHEMBL5022735 0.77 TNIK (0.43) TNIK
SCHEMBL69008 0.76 MEN1 (0.50) TNIKKDR
SCHEMBL26136102 0.74 FFAR1 (0.45) FFAR1PSEN1PSEN2APH1BNCSTN
SCHEMBL7379027 0.73 CYP1A2 (0.50) FFAR1
SCHEMBL30755516 0.71 TRPV3 (0.51) FFAR1CTSKRXRARXRBRXRG
SCHEMBL4566709 0.70 NR1H4 (0.37) NR1H4TNIKNPY5R
SCHEMBL13024368 0.70 TNIK (0.47) TNIKKDR
SCHEMBL117230 0.69 FFAR1 (0.73) FFAR1FFAR4

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-20100144818-A1 1-BENZYLPYRAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-06-10 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-20100144818-A1 1-BENZYLPYRAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, CYP11B1, CYP3A43 NR1H4 644/4885FFAR1 1694/4885TNIK 3890/4885

“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.