SCHEMBL18100115

SCHEMBL18100115

C=CC(=O)Nc1cccc(B(C)O)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.58
BTK Q06187 4/20 0.47
TRPV1 Q8NER1 1/20 0.46
MAP2K7 O14733 3/20 0.44
EGFR P00533 2/20 0.44
JAK3 P52333 1/20 0.44
AURKA O14965 1/20 0.44
F13A1 P00488 1/20 0.44
LMNA P02545 1/20 0.44
TGM1 P22735 1/20 0.44
TGM3 Q08188 1/20 0.44
ITK Q08881 3/20 0.43

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
SCHEMBL235432 0.87 TGM2 (0.61) TGM2BTKTRPV1MAP2K7EGFR
SCHEMBL30935191 0.87 TGM2 (0.61) TGM2BTKTRPV1MAP2K7EGFR
SCHEMBL16193308 0.87 TGM2 (0.54) TGM2BTKTRPV1MAP2K7EGFR
SCHEMBL29246639 0.86 TGM2 (0.59) TGM2BTKTRPV1MAP2K7EGFR
Acrylamide SCHEMBL30480310 0.82 TGM2 (0.55) TGM2BTKTRPV1MAP2K7EGFR
Acrylamide SCHEMBL22206248 0.82 TGM2 (0.55) TGM2BTKTRPV1MAP2K7EGFR
SCHEMBL4103284 0.81 TGM2 (0.76) TGM2BTKMAP2K7EGFRJAK3
SCHEMBL23199033 0.80 TDP1 (0.54) TGM2BTKTRPV1MAP2K7EGFR
SCHEMBL30480308 0.80 TGM2 (0.50) TGM2BTKTRPV1MAP2K7EGFR
SCHEMBL9945928 0.80 ALDH1A1 (0.58)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280827-A1 POLYMERS, HYDROGELS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2016-09-29 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 (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-20160280827-A1 POLYMERS, HYDROGELS, AND USES THEREOF BOLA2; BOLA2B, PARG, BRAP TGM2 2085/4885BTK 255/4885TRPV1 4714/4885

“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.