Sugi Predict

Sugi Predict / Compounds / SCHEMBL21632087

SCHEMBL21632087

SCHEMBL21632087

N#CC(CCC(=O)O)c1c(F)cccc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGFR P43088 3/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ FFAR1 O14842 2/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.34
▸ CTSA P10619 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ EPHX2 P34913 2/20 0.32
▸ CTSK P43235 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TNKS O95271 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32

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
SCHEMBL21632375 0.87 CES2 (0.38) PTGFRFFAR1FFAR4SMN1; SMN2CES2
SCHEMBL21656315 0.83 CTSS (0.35) PTGFRCTSSCTSK
SCHEMBL21632051 0.81 ALDH1A1 (0.42) PTGFRSMN1; SMN2CES2CES1
SCHEMBL21631985 0.81 CNR2 (0.45) PTGFRFFAR1FFAR4EPHX2
SCHEMBL21708524 0.80 CTSS (0.32) PTGFRCTSSEPHX2
SCHEMBL20534680 0.80 PTGFR (0.43) PTGFRPTGS2FFAR1FFAR4CTSA
SCHEMBL21631962 0.77 PTGFR (0.46) PTGFRPTGS2FFAR1FFAR4CTSA
SCHEMBL21632010 0.77 KMT2A (0.39) FFAR4SMN1; SMN2
SCHEMBL21632189 0.76 CCR1 (0.43) FFAR1FFAR4CES2CES1
SCHEMBL21632035 0.75 CCR1 (0.36) PTGFRFFAR1FFAR4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-19 — — US disclosed
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2021-10-05 — — US disclosed
US-20200157073-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-21 — — US disclosed
US-20200031775-A1 SUBSTITUTED N-ARYLETHYL-2-ARYLQUINOLINE-4-CARBOXAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-01-30 — — US disclosed
CN-110730776-A Substituted N-arylethyl-2-arylquinoline-4-carboxamides and their use 拜耳股份公司 2020-01-24 — — CN 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 (4 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 1050/4885PTGS2 227/4885FFAR1 781/4885
US-20200157073-A1 SUBSTITUTED N-ARYLETHYL-2-AMINOQUINOLINE-4-CARBOXAMIDES AND USE THEREOF AADAC, ARG2, GOT2 PTGFR 1184/4885PTGS2 184/4885FFAR1 1059/4885
US-11149018-B2 Substituted N-arylethyl-2-aminoquinoline-4-carboxamides and use thereof AADAC, ARG2, GOT2 PTGFR 1184/4885PTGS2 184/4885FFAR1 1059/4885
US-11136296-B2 Substituted N-arylethyl-2-arylquinoline-4-carboxamides and use thereof AADAC, NAT1, EPX PTGFR 1050/4885PTGS2 227/4885FFAR1 781/4885

“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.