SCHEMBL19086308

SCHEMBL19086308

N#Cc1ccc(F)c(OCC=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
TRPV4 Q9HBA0 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.39
SLC22A12 Q96S37 1/20 0.37
MGLL Q99685 1/20 0.36
EGLN2 Q96KS0 2/20 0.33
P4HB P07237 1/20 0.33
STS P08842 1/20 0.33
CYP19A1 P11511 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
PSMD14 O00487 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
VNN1 O95497 1/20 0.33
USP30 Q70CQ3 1/20 0.33

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
SCHEMBL7634010 0.78 TRPV4 (0.56) TRPV4PTGDR2MGLLALDH1A1MAPT
SCHEMBL2555360 0.78 CTSS (0.53) CTSLCTSSCTSKMEN1ALDH1A1
SCHEMBL20116442 0.77 TRPV4 (0.40) CTSLCTSSCTSKTRPV4PTGDR2
SCHEMBL22781839 0.75 CYP19A1 (0.43) TRPV4PTGDR2SLC22A12MGLLCYP19A1
SCHEMBL2527854 0.75 TRPV4 (0.40) TRPV4PTGDR2SLC22A12MGLLEGLN2
SCHEMBL31294779 0.75 PTGDR2 (0.45) TRPV4PTGDR2KDM4EMEN1ALDH1A1
SCHEMBL2401013 0.75 PTGDR2 (0.48) TRPV4PTGDR2MGLLALDH1A1MAPT
SCHEMBL19851607 0.74 TRPV4 (0.45) TRPV4MGLLALDH1A1GAASMN1; SMN2
SCHEMBL28710980 0.74 AR (0.40) TRPV4PTGDR2EGLN2CYP19A1ALDH1A1
SCHEMBL14871861 0.74 ALDH1A1 (0.43) TRPV4MGLLKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190016681-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2019-01-17 US disclosed
US-20190016681-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2019-01-17 US disclosed
EP-3400213-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION Rijksuniversiteit Groningen (NL) 2018-11-14 EP disclosed
WO-2017118762-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2017-07-13 WO disclosed
WO-2017118762-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2017-07-13 WO disclosed
EP-3190103-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION Rijksuniversiteit Groningen (NL) 2017-07-12 EP disclosed
EP-3190103-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION Rijksuniversiteit Groningen (NL) 2017-07-12 EP 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-20190016681-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION PDCD1, CD274, PDCD1LG2 CTSL 1558/4885CTSS 3759/4885CTSK 3693/4885

“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.