SCHEMBL16762202

SCHEMBL16762202

O=C(O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N(Cc1cccs1)Cc1cccs1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 6/20 0.52
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
DPP8 Q6V1X1 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
DPP4 P27487 1/20 0.45
DPP9 Q86TI2 1/20 0.45
HTT P42858 1/20 0.45
CPB1 P15086 1/20 0.45
CPB2 Q96IY4 1/20 0.45
MAPT P10636 1/20 0.44

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
SCHEMBL16762160 0.93 FOLH1 (0.46) FOLH1MMP2MMP9DPP8DPP7
SCHEMBL16761989 0.93 FOLH1 (0.46) FOLH1MMP2MMP9DPP8DPP7
SCHEMBL21543891 0.93 SIRT2 (0.51) FOLH1
SCHEMBL16762153 0.93 MMP2 (0.47) FOLH1MMP2MMP9DPP8DPP7
SCHEMBL31277511 0.93 SIRT2 (0.51) FOLH1
SCHEMBL21715244 0.92 CA1 (0.54) FOLH1MMP2MMP9DPP8DPP7
SCHEMBL16762298 0.92 CA1 (0.54) FOLH1MMP2MMP9DPP8DPP7
SCHEMBL21543552 0.89 MAPT (0.57) FOLH1MAPT
SCHEMBL16762136 0.89 ALB (0.43) FOLH1MMP2MMP9DPP8DPP7
SCHEMBL15249565 0.87 DPP8 (0.48) FOLH1MMP2MMP9DPP8DPP7

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 11 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-10342866-B2 Compositions and methods for immunotherapies comprising small molecule integrin receptor-ligand agonist adjuvants 7 HILLS INTERESTS LLC (US) 2019-07-09 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-2640721-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
US-20170044130-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE 2017-02-16 US disclosed
US-20160339098-A1 Novel compositions and methods for immunotherapies comprising small molecule integrin receptor-ligand agonist adjuvants 7 HILLS PHARMA INC. 2016-11-24 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 (5 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 FOLH1 2395/4885MMP2 1826/4885MMP9 2706/4885
US-10287264-B2 Agonists that enhance binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 FOLH1 2319/4885MMP2 1706/4885MMP9 2494/4885
US-20170044130-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 FOLH1 2319/4885MMP2 1706/4885MMP9 2494/4885
US-10342866-B2 Compositions and methods for immunotherapies comprising small molecule integrin receptor-ligand agonist adjuvants CD4, ICOS, CD274 FOLH1 3771/4885MMP2 4058/4885MMP9 3488/4885
US-20160339098-A1 Novel compositions and methods for immunotherapies comprising small molecule integrin receptor-ligand agonist adjuvants CD4, CD274, ICOS FOLH1 3958/4885MMP2 3947/4885MMP9 3391/4885

“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.