SCHEMBL2928623

SCHEMBL2928623

C1CCC(NC2CCCCC2)CC1.O=C(N[C@@H](CCO)C(=O)O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
EPHX1 P07099 1/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSK P43235 3/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
CASP1 P29466 3/20 0.48
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
ITGAV P06756 1/20 0.46

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
SCHEMBL1111220 1.00 ALDH1A1 (0.55) ALDH1A1EPHX1MEN1KMT2ACTSK
SCHEMBL28700404 0.90 FOLH1 (0.56) ALDH1A1EPHX1MEN1KMT2ACASP1
SCHEMBL28706890 0.90 FOLH1 (0.56) ALDH1A1EPHX1MEN1KMT2ACASP1
SCHEMBL29401534 0.89 ALDH1A1 (0.53) ALDH1A1EPHX1MEN1KMT2ACTSK
SCHEMBL5144277 0.87 ALDH1A1 (0.59) ALDH1A1EPHX1MEN1KMT2ACASP1
SCHEMBL581315 0.87 CTSS (0.52) ALDH1A1EPHX1MEN1KMT2ACTSK
SCHEMBL10886681 0.87 DPP4 (0.55) ALDH1A1EPHX1HDAC1HDAC2ITGB3
SCHEMBL1111208 0.87 PPARA (0.55) CTSKCTSLCTSBCTSSSIRT2
SCHEMBL1111209 0.87 PPARA (0.55) CTSKCTSLCTSBCTSSSIRT2
SCHEMBL376362 0.87 PPARA (0.55) CTSKCTSLCTSBCTSSSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-2009069100-A1 PHOSPHONIC ACID DERIVATES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-04 WO 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-20100261678-A1 PHOSPHONIC ACID DERIVATES AD THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY13, P2RY11 ALDH1A1 1854/4885EPHX1 564/4885MEN1 3274/4885

“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.