SCHEMBL9972842

SCHEMBL9972842

CCC(O)COCCCCOCC(O)CN(C(C)=O)C(CC(=O)N(CC(=O)O)CC(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
PLA2G2C Q5R387 2/20 0.31
P2RY10 O00398 1/20 0.30
SPHK1 Q9NYA1 1/20 0.30

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
SCHEMBL12764402 0.86
SCHEMBL9972840 0.75 CYP1A2 (0.33) USP2CYP1A2CYP3A4CYP2C19HTT
SCHEMBL12764385 0.75 P2RY10 (0.38) USP2KDM4EALDH1A1ALOX15CYP1A2
SCHEMBL12764387 0.73 P2RY10 (0.37) USP2KDM4EALDH1A1ALOX15CYP1A2
SCHEMBL12764376 0.68 PLA2G4B (0.35) USP2KDM4EALDH1A1ALOX15CYP1A2
SCHEMBL16408436 0.67 USP2 (0.45) USP2KDM4EALDH1A1ALOX15CYP1A2
SCHEMBL8767609 0.67 USP2 (0.53) USP2CYP1A2CYP3A4CYP2C19HTT
SCHEMBL13924256 0.66 USP2 (0.55) USP2CYP1A2CYP3A4CYP2C19HTT
SCHEMBL9972820 0.66 PLA2G4B (0.38) USP2CYP1A2CYP3A4CYP2C19HTT
SCHEMBL7769495 0.66 USP2 (0.56) USP2CYP1A2CYP3A4CYP2C19HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120157659-A1 AFFINITY PEPTIDES AND METHOD FOR PURIFICATION OF RECOMBINANT PROTEINS SIGMA-ALDRICH CO. (US) 2012-06-21 US disclosed
US-7799561-B2 Affinity peptides and method for purification of recombinant proteins SIGMA-ALDRICH, CO. (US) 2010-09-21 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 (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-20120157659-A1 AFFINITY PEPTIDES AND METHOD FOR PURIFICATION OF RECOMBINANT PROTEINS RPS27A, AEBP2, MRPL21 USP2 2142/4885KDM4E 2683/4885ALDH1A1 4434/4885

“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.