SCHEMBL20975486

SCHEMBL20975486

NCC(NC(=O)C1CCCN1S(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.69
ITGA5 P08648 4/20 0.69
MMP2 P08253 2/20 0.59
MMP9 P14780 2/20 0.59
FKBP1A P62942 2/20 0.56
ITGA4 P13612 2/20 0.56
ITGA2 P17301 1/20 0.56
ITGB3 P05106 2/20 0.56
ITGAV P06756 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
USP2 O75604 1/20 0.52
MAPT P10636 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GAA P10253 1/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL20975485 1.00 ITGB1 (0.69) ITGB1ITGA5MMP2MMP9FKBP1A
SCHEMBL19426733 1.00 ITGB1 (0.69) ITGB1ITGA5MMP2MMP9FKBP1A
SCHEMBL19412234 1.00 ITGB1 (0.69) ITGB1ITGA5MMP2MMP9FKBP1A
SCHEMBL8249123 1.00 ITGB1 (0.69) ITGB1ITGA5MMP2MMP9FKBP1A
SCHEMBL8246390 0.91 ITGB1 (0.61) ITGB1ITGA5MMP2MMP9FKBP1A
SCHEMBL6400260 0.90 GAA (0.58) ITGB1ITGA5MMP2MMP9FKBP1A
SCHEMBL6400256 0.90 GAA (0.58) ITGB1ITGA5MMP2MMP9FKBP1A
SCHEMBL19426636 0.89 ITGB1 (0.59) ITGB1ITGA5MMP2MMP9FKBP1A
SCHEMBL19426633 0.89 ITGB1 (0.59) ITGB1ITGA5MMP2MMP9FKBP1A
SCHEMBL2879404 0.87 ITGB1 (0.77) ITGB1ITGA5MMP2MMP9FKBP1A

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 ITGB1 3/4885ITGA5 1/4885MMP2 640/4885
US-10836720-B2 Inhibitors of integrin alpha 5 beta 1 and methods of use ITGA5, ITGB5, ITGB1 ITGB1 3/4885ITGA5 1/4885MMP2 640/4885

“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.