SCHEMBL5076586

SCHEMBL5076586

NC(CCC(=O)NCCc1ccccc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.57
HDAC1 Q13547 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC10 Q969S8 2/20 0.57
HDAC11 Q96DB2 2/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC6 Q9UBN7 2/20 0.57
NCOR2 Q9Y618 2/20 0.57
HDAC4 P56524 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
SLC1A1 P43005 1/20 0.57
LTA4H P09960 6/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
MMP2 P08253 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
MMP12 P39900 1/20 0.55
MMP14 P50281 1/20 0.55
LMNA P02545 1/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL5076581 1.00 HDAC3 (0.57) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL16860742 0.91 L3MBTL1 (0.69) SLC1A1LTA4HL3MBTL1LMNAPKM
SCHEMBL16860729 0.90 LMNA (0.63) SLC1A1LTA4HL3MBTL1LMNAPKM
SCHEMBL14381163 0.90 LTA4H (0.59) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL16860743 0.89 LMNA (0.62) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL23950311 0.88 SLC7A5 (0.51) SLC1A1LTA4HF13A1PLAAT5PLAAT4
SCHEMBL31540123 0.88 SLC7A5 (0.51) SLC1A1LTA4HF13A1PLAAT5PLAAT4
SCHEMBL31369915 0.87 CA1 (0.49) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL19051470 0.87 CA1 (0.49) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL8984747 0.84 SLC1A3 (0.56) HDAC3HDAC1HDAC2HDAC10HDAC11

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-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
CN-105873939-B Beta-hairpin peptidomimetics as selective elastase inhibitors 波利弗尔股份公司 2021-08-27 CN disclosed
CN-105873939-A Beta-hairpin peptidomimetics as selective elastase inhibitors 波利弗尔股份公司 2016-08-17 CN disclosed
US-6136781-A NOVEL CYCLIC PENTAPEPTIDE OR SALTS EFFECTIVE AS MEDICINES FOR PREVENTING AND CURING SEX HORMONE-DEPENDENT CANCERS, PROSTATOMEGALY, ENDOMETRIOSIS, HYSTEROMYOMA, PUBERTY PRECOX, AMENORRHEAL SYNDROMES, MULTIOCULAR OVARIAN SYNDROMES, ALSO TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-24 US disclosed
CN-1183104-A LH-RH receptor antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-05-27 CN 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-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 (1 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 HDAC3 2998/4885HDAC1 3298/4885HDAC2 3366/4885

“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.