SCHEMBL17534872

SCHEMBL17534872

CCc1cccc(-c2ccc(CC(NS(=O)(=O)c3ccccn3)c3cccc(NCC(=O)O)n3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 19/20 0.64
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45

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
SCHEMBL17472648 0.94 PTGER2 (0.65) PTGER2ITGB3ITGAV
SCHEMBL533242 0.92 PTGER2 (0.59) PTGER2
Hydrochloric Acid SCHEMBL533837 0.92 PTGER2 (0.59) PTGER2
SCHEMBL17472699 0.91 PTGER2 (0.64) PTGER2
SCHEMBL17472670 0.90 PTGER2 (0.66) PTGER2ITGB3ITGAV
SCHEMBL17472568 0.90 PTGER2 (0.66) PTGER2
SCHEMBL17472714 0.89 PTGER2 (0.65) PTGER2ITGB3ITGAV
SCHEMBL17472579 0.88 PTGER2 (0.58) PTGER2
SCHEMBL17472663 0.88 PTGER2 (0.56) PTGER2
SCHEMBL17472680 0.88 PTGER2 (0.67) PTGER2

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-9676720-B2 Substituted biaryl compound UBE INDUSTRIES, LTD. (JP) 2017-06-13 US disclosed
US-20160060221-A1 SUBSTITUTED BIARYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2016-03-03 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-20160060221-A1 SUBSTITUTED BIARYL COMPOUND FIBP, FGF2, FGFR2 PTGER2 2670/4885ITGB3 2960/4885ITGAV 3043/4885

“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.