SCHEMBL1768776

SCHEMBL1768776

NC(CCC(=O)NCc1ccccc1)C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 1/20 0.76
GAA P10253 1/20 0.62
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
LTA4H P09960 4/20 0.57
HTT P42858 1/20 0.55
ALDH1A1 P00352 1/20 0.55
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
MMP8 P22894 1/20 0.53
MMP12 P39900 1/20 0.53
MMP14 P50281 1/20 0.53
TSHR P16473 2/20 0.53
EPHX2 P34913 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HPGD P15428 1/20 0.53
RECQL P46063 1/20 0.53

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
SCHEMBL1768774 1.00 SLC1A1 (0.76) SLC1A1GAAMEN1KMT2ALTA4H
SCHEMBL21690031 0.91 SLC1A1 (0.68) SLC1A1GAAMEN1KMT2AHTT
SCHEMBL14381160 0.89 SLC1A1 (0.66) SLC1A1GAAMEN1KMT2ALTA4H
SCHEMBL29313122 0.89 SLC1A1 (0.66) SLC1A1GAAMEN1KMT2AHTT
SCHEMBL557056 0.87 SLC1A1 (0.67) SLC1A1GAAMEN1KMT2AHTT
SCHEMBL21690089 0.86 SLC1A1 (0.59) SLC1A1GAALTA4HHTTALDH1A1
SCHEMBL5732088 0.86 SLC1A1 (0.63) SLC1A1GAAMEN1KMT2ALTA4H
SCHEMBL4936188 0.86 SLC1A1 (0.63) SLC1A1GAAMEN1KMT2ALTA4H
SCHEMBL26598022 0.86 SLC1A1 (0.62) SLC1A1GAAMEN1KMT2AHTT
SCHEMBL26598019 0.86 SLC1A1 (0.62) SLC1A1GAAMEN1KMT2AHTT

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN claimed
EP-1976873-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Brystol-Myers Squibb Company (US) 2008-10-08 EP claimed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US claimed
WO-2007082264-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-19 WO claimed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP claimed
US-9637520-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2017-05-02 US disclosed
CN-102844327-B Template-fixed peptidomimetics with CXCR7 modulatory activity 波利弗尔股份公司 2016-10-26 CN disclosed
CN-102712676-B There is the peptidomimetic that the template of CCR10 antagonistic activity is fixing 波利弗尔股份公司 2016-10-26 CN disclosed
EP-2531520-B1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2016-05-11 EP disclosed
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY POLYPHOR AG (CH) 2015-10-29 US disclosed
US-9109009-B2 Template-fixed peptidomimetics with CXCR7 modulating activity POLYPHOR AG (CH) 2015-08-18 US disclosed
US-8754038-B2 Template-fixed peptidomimetics with CCR10 antagonistic activity POLYPHOR AG (CH) 2014-06-17 US disclosed
CN-1183104-A LH-RH receptor antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-05-27 CN disclosed
US-5753619-A CYCLIC HEPTAPEPTIDES FOR CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INSUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP disclosed
EP-0655463-A1 Cyclic hexapeptides having endothelin antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-31 EP disclosed
EP-0647449-A1 Sustained-release preparation of anti-endothelin substance Takeda Chemical Industries, Ltd. (JP) 1995-04-12 EP disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
EP-0552417-A1 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0528312-A2 Cyclic peptides and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-24 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 (2 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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP SLC1A1 3349/4885GAA 473/4885MEN1 808/4885
US-20150307556-A1 TEMPLATE-FIXED PEPTIDOMIMETICS WITH CXCR7 MODULATING ACTIVITY CXCR1, CXCL12, CXCR6 SLC1A1 832/4885GAA 2475/4885MEN1 3558/4885

“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.