SCHEMBL16762178

SCHEMBL16762178

CCCC[C@H](NC(=O)O)C(=O)N(Cc1cccs1)Cc1cccs1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
CTSK P43235 3/20 0.46
GAA P10253 1/20 0.46
POLB P06746 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
TRPM8 Q7Z2W7 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL16762075 1.00 ALDH1A1 (0.46) ALDH1A1CTSKGAAPOLBTDP1
SCHEMBL16762008 0.91 ALDH1A1 (0.46) ALDH1A1CTSKGAAPOLBTRPM8
SCHEMBL6123072 0.90 CTSK (0.46) ALDH1A1CTSKGAAPOLBTDP1
SCHEMBL6121764 0.90 CTSK (0.46) ALDH1A1CTSKGAAPOLBTDP1
SCHEMBL6121971 0.88 CTSK (0.44) ALDH1A1CTSKGAAPOLBTDP1
SCHEMBL16762032 0.88 POLB (0.46) ALDH1A1POLBTDP1TRPM8SMN1; SMN2
SCHEMBL6122567 0.87 CTSK (0.45) ALDH1A1CTSKGAAPOLBTDP1
SCHEMBL16762002 0.87 POLB (0.45) ALDH1A1POLBTDP1TRPM8SMN1; SMN2
SCHEMBL16762082 0.87 POLB (0.58) ALDH1A1POLBTDP1TRPM8SMN1; SMN2
SCHEMBL20211014 0.87 POLB (0.58) ALDH1A1POLBTDP1TRPM8SMN1; 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220001009-A1 NOVEL COMPOSITIONS INCLUDING A THERAPEUTIC ANTIBODIES AND/OR A CHECKPOINT INHIBITOR AND AN INTEGRIN ACTIVATING COMPOUND 7 Hills Pharma LLC (US) 2022-01-06 US disclosed
US-10709781-B2 Integrin activator checkpoint inhibitor compositions 7 Hills Pharma LLC (US) 2020-07-14 US disclosed
US-20200054743-A1 NOVEL INTEGRIN ACTIVATOR CHECKPOINT INHIBITOR COMPOSITIONS 7 Hills Pharma LLC (US) 2020-02-20 US disclosed
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
US-10071980-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2018-09-11 US disclosed
US-10035784-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2018-07-31 US 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-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
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
US-20150368234-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE 2015-12-24 US disclosed
US-20150291571-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE 2015-10-15 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 (12 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-20200054743-A1 NOVEL INTEGRIN ACTIVATOR CHECKPOINT INHIBITOR COMPOSITIONS CD47, ITGA1, ITGA2B ALDH1A1 2560/4885CTSK 2806/4885GAA 3273/4885
US-10035784-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 ALDH1A1 740/4885CTSK 3030/4885GAA 3123/4885
US-20220001009-A1 NOVEL COMPOSITIONS INCLUDING A THERAPEUTIC ANTIBODIES AND/OR A CHECKPOINT INHIBITOR AND AN INTEGRIN ACTIVATING COMPOUND CD47, ITGB1, ITGAM ALDH1A1 2925/4885CTSK 2541/4885GAA 2438/4885
US-20190210992-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 ALDH1A1 725/4885CTSK 3028/4885GAA 3294/4885
US-10709781-B2 Integrin activator checkpoint inhibitor compositions CD47, ITGA1, ITGAM ALDH1A1 2403/4885CTSK 2680/4885GAA 3244/4885
US-10287264-B2 Agonists that enhance binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 ALDH1A1 755/4885CTSK 3114/4885GAA 3200/4885
US-20170044130-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 ALDH1A1 755/4885CTSK 3114/4885GAA 3200/4885
US-20150291571-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 ALDH1A1 740/4885CTSK 3030/4885GAA 3123/4885
US-20150368234-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 ALDH1A1 740/4885CTSK 3030/4885GAA 3123/4885
US-10342866-B2 Compositions and methods for immunotherapies comprising small molecule integrin receptor-ligand agonist adjuvants CD4, ICOS, CD274 ALDH1A1 3592/4885CTSK 1709/4885GAA 1535/4885
US-20160339098-A1 Novel compositions and methods for immunotherapies comprising small molecule integrin receptor-ligand agonist adjuvants CD4, CD274, ICOS ALDH1A1 3675/4885CTSK 1634/4885GAA 1657/4885
US-10071980-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 ALDH1A1 740/4885CTSK 3030/4885GAA 3123/4885

“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.