SCHEMBL2812282

SCHEMBL2812282

C#Cc1cc(S)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.47
EGFR P00533 1/20 0.32
FBP1 P09467 1/20 0.32
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL2810473 0.78 TRPV4 (0.41) TRPV4
SCHEMBL16555923 0.77 TRPV4 (0.69) TRPV4ESR1ESR2
SCHEMBL718612 0.76 CA3 (0.42) EGFRFBP1ESR1ESR2
SCHEMBL1544963 0.74 PTGDR2 (0.36) EGFRFBP1
SCHEMBL17787791 0.73 EGFR (0.32) EGFRFBP1ESR1ESR2
SCHEMBL27280801 0.73 TRPV4 (0.47) TRPV4
SCHEMBL2809900 0.73 ESR1 (0.45) ESR1ESR2
SCHEMBL5958536 0.73 PYCR1 (0.39) EGFRFBP1ESR1ESR2
SCHEMBL2897973 0.73 NFE2L2 (0.36) EGFRFBP1ESR1ESR2
SCHEMBL641650 0.73 EGFR (0.35) EGFRFBP1ESR1ESR2

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-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B TRPV4 2447/4885EGFR 3100/4885FBP1 2523/4885

“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.