SCHEMBL3516836

SCHEMBL3516836

C[C@@H](Nc1cscn1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.40
MCL1 Q07820 5/20 0.39
BCL2 P10415 2/20 0.39
HPGD P15428 1/20 0.37
SCN1A P35498 6/20 0.36
SCN5A Q14524 6/20 0.36
SCN8A Q9UQD0 6/20 0.36
KDM4C Q9H3R0 1/20 0.36
SCN1B Q07699 2/20 0.34
SCN9A Q15858 2/20 0.34
NR1I2 O75469 1/20 0.34
CYP2C9 P11712 1/20 0.34
SCN2A Q99250 1/20 0.34
TSHR P16473 1/20 0.33
HCAR3 P49019 1/20 0.33
BCL2L1 Q07817 1/20 0.33
MAP3K5 Q99683 1/20 0.33

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
SCHEMBL175753 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EMCL1BCL2HPGD
SCHEMBL175752 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EMCL1BCL2HPGD
Hydrochloric Acid SCHEMBL7300448 0.98 ALDH1A1 (0.41) ALDH1A1KDM4EMCL1BCL2HPGD
SCHEMBL7288378 0.84 PIK3CA (0.36) ALDH1A1KDM4ESCN1ASCN5ASCN8A
SCHEMBL6211278 0.83 SCN9A (0.35) ALDH1A1KDM4ESCN1ASCN5ASCN8A
SCHEMBL6616473 0.83 SCN9A (0.35) ALDH1A1KDM4ESCN1ASCN5ASCN8A
Hydrochloric Acid SCHEMBL6498236 0.81 SCN9A (0.34) ALDH1A1KDM4ESCN1ASCN5ASCN8A
Gabapentin SCHEMBL3169310 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EMCL1BCL2HPGD
SCHEMBL7299956 0.76 KDM4E (0.35) ALDH1A1KDM4EHPGDSCN1ASCN5A
SCHEMBL9217841 0.74 FPR2 (0.32) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021354-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS Brystol-Myers Squibb Company (US) 2009-02-11 EP claimed
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US claimed
EP-1883652-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2008-02-06 EP claimed
WO-2007140284-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO claimed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 US claimed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO claimed
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ZEALAND PHARMA A/S (DK) 2024-09-03 US disclosed
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2023-12-21 US disclosed
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ZEALAND PHARMA A/S (DK) 2023-08-01 US disclosed
US-11111273-B2 Cyclic peptides multimers targeting alpha-4-beta-7 integrin ZEALAND PHARMA A/S (DK) 2021-09-07 US disclosed
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2020-07-09 US disclosed
US-20100331245-A1 PEPTIDE YY ANALOGS IPSEN PHARMA S.A.S. (FR) 2010-12-30 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 (8 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-11111273-B2 Cyclic peptides multimers targeting alpha-4-beta-7 integrin ITGB7, ITGB4, ITGA4 ALDH1A1 2543/4885KDM4E 2725/4885MCL1 860/4885
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators GLP1R, GIPR, IAPP ALDH1A1 4813/4885KDM4E 2276/4885MCL1 1521/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 ALDH1A1 2492/4885KDM4E 2602/4885MCL1 863/4885
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, IAPP ALDH1A1 4829/4885KDM4E 2366/4885MCL1 1531/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 ALDH1A1 2543/4885KDM4E 2725/4885MCL1 860/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 ALDH1A1 2543/4885KDM4E 2725/4885MCL1 860/4885
US-20100331245-A1 PEPTIDE YY ANALOGS VIP, GLP1R, GIPR ALDH1A1 4862/4885KDM4E 2051/4885MCL1 2696/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 ALDH1A1 2752/4885KDM4E 2786/4885MCL1 793/4885

“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.