SCHEMBL21632086

SCHEMBL21632086

COc1c(F)cc(F)cc1C(C)(C#N)CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 3/20 0.39
CTSA P10619 5/20 0.33
HPGD P15428 1/20 0.32
NR3C2 P08235 5/20 0.32
NR3C1 P04150 4/20 0.32
PGR P06401 4/20 0.32
FFAR4 Q5NUL3 2/20 0.31
GPR35 Q9HC97 1/20 0.30
RBP4 P02753 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL21656334 0.86 MTNR1A (0.38) PTGFRNR3C2NR3C1PGR
SCHEMBL20534675 0.82 PTGFR (0.42) PTGFRCTSANR3C2FFAR4FFAR1
SCHEMBL21632105 0.80 NR3C1 (0.46) NR3C2NR3C1PGRFFAR4FFAR1
SCHEMBL21708754 0.80
Hydrochloric Acid SCHEMBL21632094 0.76 PTGFR (0.45) PTGFRCTSAFFAR4FFAR1
SCHEMBL21631931 0.76 NR3C2 (0.42) PTGFRNR3C2NR3C1PGRFFAR4
SCHEMBL21632040 0.71 POLB (0.45) PTGFRRBP4
SCHEMBL9885325 0.69 PTGS2 (0.39) PTGFRHPGD
SCHEMBL21632381 0.68 PTGFR (0.40) PTGFRFFAR4
SCHEMBL21656599 0.67 MTNR1A (0.38) PTGFR

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-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 US disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 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 (2 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-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, NAT1, EPX PTGFR 1050/4885CTSA 36/4885HPGD 489/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX PTGFR 1050/4885CTSA 36/4885HPGD 489/4885

“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.