SCHEMBL20999896

SCHEMBL20999896

N=C(N)NCCCCC(=O)N[C@H](C=O)CCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 15/20 0.59
▸ CA2 P00918 15/20 0.59
▸ CA9 Q16790 15/20 0.59
▸ CA12 O43570 7/20 0.59
▸ CA14 Q9ULX7 3/20 0.57
▸ CA7 P43166 2/20 0.57
▸ HTR3A P46098 2/20 0.50
▸ ALB P02768 1/20 0.49
▸ PTGER3 P43115 1/20 0.49

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
SCHEMBL5057133 0.88 CA9 (0.64) CA1CA2CA9CA12CA14
SCHEMBL24444501 0.84 CA9 (0.72) CA1CA2CA9CA12CA14
SCHEMBL24606377 0.83 CA9 (0.69) CA1CA2CA9CA12CA14
SCHEMBL19788249 0.82 CA9 (0.67) CA1CA2CA9CA12CA14
SCHEMBL17753778 0.81 CA9 (0.66) CA1CA2CA9CA12CA14
SCHEMBL18807599 0.81 FOLH1 (0.61) CA1CA2CA9CA12CA14
SCHEMBL20529844 0.81 FOLH1 (0.61) CA1CA2CA9CA12CA14
SCHEMBL10060089 0.81 FOLH1 (0.61) CA1CA2CA9CA12CA14
SCHEMBL31380586 0.81 FOLH1 (0.61) CA1CA2CA9CA12CA14
SCHEMBL12800346 0.81 CA9 (0.70) CA1CA2CA9CA12CA14

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-10836720-B2 Inhibitors of integrin alpha 5 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-17 — — US disclosed
US-20190144386-A1 INHIBITORS OF INTEGRIN ALPHA 5 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-05-16 — — 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-20190144386-A1 INHIBITORS OF INTEGRIN ALPHA 5 BETA 1 AND METHODS OF USE ITGA5, ITGB5, ITGB1 CA1 1284/4885CA2 2330/4885CA9 1517/4885
US-10836720-B2 Inhibitors of integrin alpha 5 beta 1 and methods of use ITGA5, ITGB5, ITGB1 CA1 1284/4885CA2 2330/4885CA9 1517/4885

“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.

Send feedback