SCHEMBL21144944

SCHEMBL21144944

Cc1cc(CC(CO)NC(=O)O)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
S1PR3 Q99500 1/20 0.41
CTSB P07858 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
MME P08473 1/20 0.39
CACNA1H O95180 2/20 0.39
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
BLM P54132 1/20 0.36
PTGS2 P35354 1/20 0.36
LMNA P02545 1/20 0.36
PSMB8 P28062 2/20 0.36
PSMB5 P28074 2/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL18920544 1.00 CYP3A4 (0.42) CYP3A4MAPK1S1PR3CTSBMRGPRX4
SCHEMBL21144759 0.85 MME (0.38) CYP3A4MAPK1MMEPTGS2LMNA
SCHEMBL21144760 0.85 MME (0.38) CYP3A4MAPK1MMEPTGS2LMNA
SCHEMBL18930465 0.84 AAK1 (0.48) CTSBCACNA1H
SCHEMBL5307484 0.83 PSMB5 (0.49) CYP3A4MAPK1CTSBPTGS2LMNA
SCHEMBL21144964 0.80 MME (0.40) CTSBMRGPRX4MME
SCHEMBL21144967 0.80 MME (0.40) CTSBMRGPRX4MME
SCHEMBL23357210 0.79 MAPK1 (0.47) CYP3A4MAPK1MMELMNA
SCHEMBL21144850 0.79 MAPK1 (0.47) CYP3A4MAPK1MMELMNA
SCHEMBL18920691 0.79 MAPK1 (0.47) CYP3A4MAPK1MMELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
EP-3383865-B1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma AG (DE) 2020-01-29 EP disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 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-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 ATAD2, ATAD2B, TAF1L CYP3A4 2947/4885MAPK1 2974/4885S1PR3 4525/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L CYP3A4 2947/4885MAPK1 2974/4885S1PR3 4525/4885

“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.