SCHEMBL167045

SCHEMBL167045

CN[C@@H](CC(=O)O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
ATM Q13315 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
EEF2K O00418 3/20 0.49
GABBR2 O75899 1/20 0.48
GABBR1 Q9UBS5 1/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP26A1 O43174 1/20 0.46
HTR1D P28221 2/20 0.46
CYP2C19 P33261 1/20 0.44
LMNA P02545 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
SCHEMBL2300538 1.00 ALDH1A1 (0.59) ALDH1A1ATML3MBTL1EEF2KGABBR2
SCHEMBL1144429 1.00 ALDH1A1 (0.59) ALDH1A1ATML3MBTL1EEF2KGABBR2
SCHEMBL6790697 0.93 ALDH1A1 (0.54) ALDH1A1ATML3MBTL1EEF2KGABBR2
SCHEMBL24115263 0.86 ALDH1A1 (0.57) ALDH1A1ATMMAPTHTR1DCYP2C19
SCHEMBL13593226 0.86 ALDH1A1 (0.57) ALDH1A1ATMMAPTHTR1DCYP2C19
SCHEMBL28638350 0.85 ALDH1A1 (0.49) ALDH1A1ATML3MBTL1EEF2KGABBR2
SCHEMBL17773011 0.85 ALDH1A1 (0.44) ALDH1A1ATML3MBTL1EEF2KMAPT
SCHEMBL15787346 0.85 CYP26A1 (0.54) ALDH1A1ATML3MBTL1MAPTSMN1; SMN2
SCHEMBL1528607 0.85 ALDH1A1 (0.44) ALDH1A1ATML3MBTL1EEF2KMAPT
SCHEMBL15787300 0.85 CYP26A1 (0.54) ALDH1A1ATML3MBTL1MAPTSMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-9512109-B2 Agonists that enhance binding of integrin-expressing cells to integrin receptors TEXAS HEART INSTITUTE (US) 2016-12-06 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
US-20130236434-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INSTITUTE (US) 2013-09-12 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
EP-1140085-B1 AZABICYCLOALKANES AS CCR5 MODULATORS PHIVCO UK LTD (GB) 2011-04-13 EP disclosed
US-7368460-B2 Tropane derivatives useful in therapy PFIZER, INC. (US) 2008-05-06 US disclosed
US-7217714-B1 CCR5 modulators AGOURON PHARMACEUTICALS, INC. (US) 2007-05-15 US disclosed
US-20040067977-A1 Tropane derivatives useful in therapy PFIZER, INC. 2004-04-08 US 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 (6 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 740/4885ATM 4310/4885L3MBTL1 1402/4885
US-20130236434-A1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 ALDH1A1 755/4885ATM 4358/4885L3MBTL1 1544/4885
US-20040067977-A1 Tropane derivatives useful in therapy ADRB3, ADRA1A, ADRB2 ALDH1A1 454/4885ATM 4244/4885L3MBTL1 3339/4885
US-20150291571-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 ALDH1A1 740/4885ATM 4310/4885L3MBTL1 1402/4885
US-20150368234-A1 AGONISTS THAT ENHANCED BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS ITGB7, ITGAL, ITGB1 ALDH1A1 740/4885ATM 4310/4885L3MBTL1 1402/4885
US-10071980-B2 Agonists that enhanced binding of integrin-expressing cells to integrin receptors ITGB7, ITGAL, ITGB1 ALDH1A1 740/4885ATM 4310/4885L3MBTL1 1402/4885

“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.