SCHEMBL2658682

SCHEMBL2658682

C=Cc1ccc(F)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 1/20 0.46
TRPV4 Q9HBA0 2/20 0.39
ALDH1A1 P00352 1/20 0.39
AR P10275 1/20 0.36
GRM4 Q14833 1/20 0.34
CNR2 P34972 1/20 0.34
PGR P06401 4/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
TP53 P04637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
P4HB P07237 1/20 0.32
TRPA1 O75762 1/20 0.32
ACLY P53396 1/20 0.31
FLT3 P36888 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31

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
SCHEMBL286663 0.84 TRPV4 (0.52) TRPV4ALDH1A1CYP11B1CYP11B2
SCHEMBL16956451 0.81 ALDH1A1 (0.43) TRPV4ALDH1A1TP53TDP1TRPA1
SCHEMBL4817679 0.81 PTP4A3 (0.43) PTP4A3TRPV4ARGRM4CNR2
SCHEMBL4758341 0.80 ALDH1A1 (0.39) PTP4A3ALDH1A1TP53TDP1TRPA1
SCHEMBL16957506 0.80 PTP4A3 (0.46) PTP4A3TRPV4ARGRM4CNR2
SCHEMBL48778 0.80 PTP4A3 (0.49) PTP4A3TRPV4ALDH1A1ARGRM4
SCHEMBL31290788 0.78 ALDH1A1 (0.40) ALDH1A1TP53TDP1TRPA1
SCHEMBL22418044 0.77 PTP4A3 (0.43) PTP4A3TRPV4ALDH1A1ARCNR2
SCHEMBL16959333 0.76 ALDH1A1 (0.39) ALDH1A1GRM4TP53TDP1TRPA1
SCHEMBL13285691 0.76 TRPA1 (0.47) ALDH1A1TP53TDP1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3997096-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2024-08-28 EP disclosed
WO-2023196601-A1 OXADIAZOLE HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-10-12 WO disclosed
US-20220242876-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-08-04 US disclosed
EP-3997096-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2022-05-18 EP disclosed
WO-2022086840-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2022-04-28 WO disclosed
CN-114096545-A Novel heterocyclic compounds 豪夫迈·罗氏有限公司 2022-02-25 CN disclosed
WO-2021005034-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-01-14 WO disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-1966152-A2 GLUCOKINASE ACTIVATORS Takeda Pharmaceutical Company Limited (JP) 2008-09-10 EP disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
US-20070244169-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-10-18 US disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 WO disclosed
WO-2007075847-A2 GLUCOKINASE ACTIVATORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-05 WO 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-20220242876-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP1A2 PTP4A3 4533/4885TRPV4 3413/4885ALDH1A1 270/4885
US-20070244169-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 PTP4A3 4048/4885TRPV4 4033/4885ALDH1A1 1527/4885

“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.