SCHEMBL1111208

SCHEMBL1111208

O=C(N[C@H](CCO)C(=O)O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.55
PPARG P37231 1/20 0.55
CTSK P43235 3/20 0.54
TACR1 P25103 2/20 0.54
FOLH1 Q04609 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
SIRT1 Q96EB6 1/20 0.54
CTRB1 P17538 2/20 0.54
CTSL P07711 1/20 0.53
CTSB P07858 1/20 0.53
CTSS P25774 1/20 0.53
IDO1 P14902 1/20 0.53
TDO2 P48775 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
SCHEMBL1111209 1.00 PPARA (0.55) PPARAPPARGCTSKTACR1FOLH1
SCHEMBL376362 1.00 PPARA (0.55) PPARAPPARGCTSKTACR1FOLH1
SCHEMBL7515531 0.91 FOLH1 (0.58) PPARAPPARGCTSKTACR1FOLH1
SCHEMBL6841663 0.91 FOLH1 (0.58) PPARAPPARGCTSKTACR1FOLH1
SCHEMBL6059278 0.91 CTSK (0.54) CTSKTACR1CTRB1CTSLCTSB
SCHEMBL7215503 0.91 CTSK (0.54) CTSKTACR1CTRB1CTSLCTSB
SCHEMBL600823 0.90 FOLH1 (0.60) PPARAPPARGCTSKFOLH1SIRT2
SCHEMBL26641195 0.90 FOLH1 (0.60) PPARAPPARGCTSKFOLH1SIRT2
SCHEMBL19658555 0.90 FOLH1 (0.60) PPARAPPARGCTSKFOLH1SIRT2
SCHEMBL9830736 0.90 TGM2 (0.50) PPARAPPARGCTSKCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023072297-A1 NITROGEN-CONTAINING TETRACYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2023-05-04 WO disclosed
US-11274100-B2 EP300/CREBBP inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-03-15 US disclosed
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP disclosed
US-8518912-B2 Phosphonic acid derivates and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-08-27 US disclosed
EP-2225253-B1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-06-27 EP disclosed
US-8058263-B2 Substituted 2-phenyl-pyridine derivatives ACTELION PHARMACEUTICALS LTD (CH) 2011-11-15 US disclosed
US-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2011-02-24 US disclosed
EP-2279191-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2011-02-02 EP disclosed
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS VIATRIS ASIA PACIFIC PTE. LTD. (SG) 2010-10-14 US disclosed
EP-2225253-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009125366-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-10-15 WO disclosed
WO-2009125366-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-10-15 WO disclosed
WO-2009069100-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-04 WO disclosed
US-5326760-A Aminobutanoic acid compounds having metalloprotease inhibiting properties GLAXO, INC. (US) 1994-07-05 US disclosed
WO-1994000119-A1 AMINOBUTANOIC ACID COMPOUNDS HAVING METALLOPROTEASE INHIBITING PROPERTIES GLAXO INC. (US) 1994-01-06 WO disclosed
US-5252560-A Cyclic imide derivatives, compositions and use GLAXO INC. (US) 1993-10-12 US disclosed
EP-0520573-A1 Cyclic imide derivatives GLAXO INC. (US) 1992-12-30 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 (4 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-11274100-B2 EP300/CREBBP inhibitor EP300, CREBBP, CREB1 PPARA 1332/4885PPARG 1121/4885CTSK 4474/4885
US-20110046089-A1 SUBSTITUTED 2-PHENYL-PYRIDINE DERIVATIVES P2RY12, P2RY13, P2RY11 PPARA 462/4885PPARG 466/4885CTSK 4155/4885
US-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY13, P2RY11 PPARA 203/4885PPARG 568/4885CTSK 4627/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 PPARA 1332/4885PPARG 1121/4885CTSK 4474/4885

“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.