SCHEMBL21144703

SCHEMBL21144703

Cc1cc(C#N)c(F)cc1CC(CO)NC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 2/20 0.35
EGLN2 Q96KS0 1/20 0.33
S1PR3 Q99500 8/20 0.33
TRPV3 Q8NET8 1/20 0.33
S1PR1 P21453 3/20 0.32
CTSK P43235 2/20 0.32
CTSC P53634 2/20 0.32
AKR1B1 P15121 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
TRPA1 O75762 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
SCHEMBL21144700 1.00 ADRB2 (0.36) ADRB2ADRB1PDE4APDE4BPDE4C
SCHEMBL18930224 0.77 ADRB2 (0.39) ADRB2ADRB1EGLN2TRPV3S1PR1
Hydrochloric Acid SCHEMBL21144846 0.76 ADRB2 (0.39) ADRB2ADRB1EGLN2TRPV3S1PR1
Hydrochloric Acid SCHEMBL21144843 0.76 ADRB2 (0.39) ADRB2ADRB1EGLN2TRPV3S1PR1
SCHEMBL21596899 0.74 TRPV4 (0.41) ADRB2ADRB1PDE4APDE4BPDE4C
SCHEMBL21144944 0.74 CYP3A4 (0.42) S1PR3FFAR1CYP3A4MAPK1
SCHEMBL18920544 0.74 CYP3A4 (0.42) S1PR3FFAR1CYP3A4MAPK1
SCHEMBL12763649 0.72 TRPV4 (0.42) PDE4APDE4BPDE4CPDE4DEGLN2
SCHEMBL16109779 0.71 MAPT (0.39) PDE4APDE4BPDE4CPDE4DEGLN2
SCHEMBL23357236 0.71 CYP3A4 (0.35) CYP3A4MAPK1

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-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US 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 ADRB2 3138/4885ADRB1 2912/4885PDE4A 2187/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L ADRB2 3138/4885ADRB1 2912/4885PDE4A 2187/4885

“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.