SCHEMBL16762136

SCHEMBL16762136

[N-]=[N+]=Nc1ccc(CN(Cc2cccs2)C(=O)[C@H](CCCCNC(=O)OCc2ccccc2)NC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALB P02768 5/20 0.43
FOLH1 Q04609 4/20 0.42
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
TPSAB1 Q15661 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL29964172 0.92 MAPT (0.48) ALBFOLH1
SCHEMBL16762202 0.89 FOLH1 (0.52) FOLH1MMP2MMP9DPP4DPP8
SCHEMBL16762160 0.88 FOLH1 (0.46) FOLH1ALDH1A1SMN1; SMN2MMP2MMP9
SCHEMBL16761989 0.88 FOLH1 (0.46) FOLH1ALDH1A1SMN1; SMN2MMP2MMP9
SCHEMBL15249567 0.87 MAPT (0.45) ALB
SCHEMBL16762138 0.87 FOLH1 (0.43) FOLH1ALDH1A1MMP2MMP9PRSS1
SCHEMBL15238717 0.85 FOLH1 (0.41) ALBFOLH1ALDH1A1SMN1; SMN2TPSAB1
SCHEMBL16762153 0.84 MMP2 (0.47) FOLH1MMP2MMP9PRSS1PRSS2
SCHEMBL21543891 0.82 SIRT2 (0.51) FOLH1ALDH1A1SMN1; SMN2
SCHEMBL31277511 0.82 SIRT2 (0.51) FOLH1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190210992-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE (US) 2019-07-11 US disclosed
US-10287264-B2 Agonists that enhance binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2019-05-14 US disclosed
EP-3388429-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS Texas Heart Institute (US) 2018-10-17 EP disclosed
EP-2881393-B1 Agonists that enhance binding of integrin-expressing cells to integrin receptors TEXAS HEART INST (US) 2018-06-06 EP disclosed
EP-2881392-B1 Agonists that enhance binding of integrin-expressing cells to integrin receptors TEXAS HEART INST (US) 2018-06-06 EP disclosed
EP-2640721-B1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INST (US) 2018-06-06 EP disclosed
US-20170044130-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE 2017-02-16 US disclosed
EP-2881392-A1 Agonists that enhance binding of integrin-expressing cells to integrin receptors Texas Heart Institute (US) 2015-06-10 EP disclosed
EP-2881393-A1 Agonists that enhance binding of integrin-expressing cells to integrin receptors Texas Heart Institute (US) 2015-06-10 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 (3 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-20190210992-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 ALB 3755/4885FOLH1 2395/4885ALDH1A1 725/4885
US-10287264-B2 Agonists that enhance binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 ALB 3722/4885FOLH1 2319/4885ALDH1A1 755/4885
US-20170044130-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 ALB 3722/4885FOLH1 2319/4885ALDH1A1 755/4885

“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.