SCHEMBL6123154

SCHEMBL6123154

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
HPGD P15428 4/20 0.45
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 4/20 0.43
FOLH1 Q04609 2/20 0.43
PKM P14618 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL16762027 0.88 FOLH1 (0.43) ALDH1A1HPGDGAAPOLBFOLH1
SCHEMBL16762058 0.86 SMN1; SMN2 (0.53) ALDH1A1RAB9AGAAPOLBFOLH1
SCHEMBL16762156 0.85 FOLH1 (0.41) ALDH1A1TSHRGAAPOLBFOLH1
SCHEMBL23357781 0.85 CTSK (0.52) ALDH1A1TSHRHPGDGAA
SCHEMBL8828162 0.85 CTSK (0.52) ALDH1A1TSHRHPGDGAA
SCHEMBL16762032 0.84 POLB (0.46) ALDH1A1TSHRHPGDPOLBPKM
SCHEMBL6122744 0.84 FOLH1 (0.43) ALDH1A1HPGDGAAPOLBFOLH1
SCHEMBL16762002 0.83 POLB (0.45) ALDH1A1TSHRHPGDPOLBSMN1; SMN2
SCHEMBL6123149 0.82 ALDH1A1 (0.48) ALDH1A1TSHRGAAPOLBFOLH1
SCHEMBL16762202 0.82 FOLH1 (0.52) FOLH1MAPT

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-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-2881392-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
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
EP-2640721-A2 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS Texas Heart Institute (US) 2013-09-25 EP disclosed
WO-2012068251-A2 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE (US) 2012-05-24 WO 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 (10 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-10035784-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 ALDH1A1 740/4885TSHR 396/4885HPGD 3157/4885
US-20220001009-A1 NOVEL COMPOSITIONS INCLUDING A THERAPEUTIC ANTIBODIES AND/OR A CHECKPOINT INHIBITOR AND AN INTEGRIN ACTIVATING COMPOUND CD47, ITGB1, ITGAM ALDH1A1 2925/4885TSHR 1992/4885HPGD 3851/4885
US-20190210992-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 ALDH1A1 725/4885TSHR 430/4885HPGD 3100/4885
US-10287264-B2 Agonists that enhance binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 ALDH1A1 755/4885TSHR 405/4885HPGD 3045/4885
US-20170044130-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 ALDH1A1 755/4885TSHR 405/4885HPGD 3045/4885
US-20150291571-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 ALDH1A1 740/4885TSHR 396/4885HPGD 3157/4885
US-20150368234-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 ALDH1A1 740/4885TSHR 396/4885HPGD 3157/4885
US-10342866-B2 Compositions and methods for immunotherapies comprising small molecule integrin receptor-ligand agonist adjuvants CD4, ICOS, CD274 ALDH1A1 3592/4885TSHR 220/4885HPGD 4295/4885
US-20160339098-A1 Novel compositions and methods for immunotherapies comprising small molecule integrin receptor-ligand agonist adjuvants CD4, CD274, ICOS ALDH1A1 3675/4885TSHR 171/4885HPGD 4320/4885
US-10071980-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 ALDH1A1 740/4885TSHR 396/4885HPGD 3157/4885

“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.