SCHEMBL6123149

SCHEMBL6123149

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
TRPM8 Q7Z2W7 3/20 0.41
POLB P06746 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
FOLH1 Q04609 2/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
CHRNA4 P43681 2/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL6122744 0.88 FOLH1 (0.43) ALDH1A1GAATRPM8POLBTDP1
SCHEMBL16762023 0.86 ALDH1A1 (0.46) ALDH1A1GAATRPM8POLBTDP1
SCHEMBL16762159 0.86 TRPM8 (0.43) ALDH1A1GAATRPM8POLBTDP1
Hydrochloric Acid SCHEMBL16762238 0.84 ALDH1A1 (0.43) ALDH1A1GAATRPM8POLBTDP1
SCHEMBL16762087 0.84 FOLH1 (0.48) ALDH1A1GAATRPM8POLBTDP1
SCHEMBL17397586 0.83 ALDH1A1 (0.51) ALDH1A1GAAPOLBFOLH1TSHR
SCHEMBL15238847 0.83 ALDH1A1 (0.51) ALDH1A1GAAPOLBFOLH1TSHR
SCHEMBL16762027 0.83 FOLH1 (0.43) ALDH1A1GAATRPM8POLBTDP1
SCHEMBL6123154 0.82 ALDH1A1 (0.47) ALDH1A1GAAPOLBTDP1FOLH1
SCHEMBL6122352 0.82 CTSK (0.54) ALDH1A1TRPM8TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640721-A2 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS Texas Heart Institute (US) 2013-09-25 EP claimed
WO-2012068251-A2 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE (US) 2012-05-24 WO claimed
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-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
EP-2881393-A1 Agonists that enhance binding of integrin-expressing cells to integrin receptors Texas Heart Institute (US) 2015-06-10 EP 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-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 (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 ALDH1A1 725/4885GAA 3294/4885TRPM8 639/4885
US-10287264-B2 Agonists that enhance binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 ALDH1A1 755/4885GAA 3200/4885TRPM8 520/4885
US-20170044130-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 ALDH1A1 755/4885GAA 3200/4885TRPM8 520/4885

“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.