SCHEMBL9972840

SCHEMBL9972840

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 1/20 0.31
HTT P42858 1/20 0.31
LPAR5 Q9H1C0 1/20 0.30
PLA2G2C Q5R387 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
SCHEMBL12764403 0.85 SLC22A6 (0.31)
SCHEMBL9972842 0.75 USP2 (0.34) CYP1A2CYP3A4CYP2C19USP2HTT
SCHEMBL12764383 0.72 P2RY10 (0.38) CYP1A2CYP3A4CYP2C19USP2HTT
SCHEMBL12764386 0.71 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C19HTT
SCHEMBL9515451 0.71 USP2 (0.58) CYP1A2CYP3A4CYP2C19USP2HTT
SCHEMBL20873139 0.70 SLC22A6 (0.32)
Hydrochloric Acid SCHEMBL9129314 0.70 USP2 (0.56) CYP1A2CYP3A4CYP2C19USP2HTT
SCHEMBL2781550 0.67 TLR2 (0.54) CYP1A2CYP3A4CYP2C19USP2HTT
Hydrochloric Acid SCHEMBL9128424 0.67 USP2 (0.44) CYP1A2CYP3A4CYP2C19USP2HTT
SCHEMBL2781535 0.67 TLR2 (0.54) CYP1A2CYP3A4CYP2C19USP2HTT

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 7 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-7897376-B2 Lysis reagents comprising at least two trialkylammonioalkylsulfonates, and a capture ligand specific for the target coating the interior surface of a multiwell plate; one step extraction not requiring centrifugation of the cellular solution SIGMA-ALDRICH CO. (US) 2011-03-01 US disclosed
US-7799561-B2 Affinity peptides and method for purification of recombinant proteins SIGMA-ALDRICH, CO. (US) 2010-09-21 US disclosed
US-7741053-B2 Processes for purification of recombinant proteins SIGMA-ALDRICH CO. (US) 2010-06-22 US disclosed
US-7709612-B2 Metal chelating compositions for protein purification, detection or binding SIGMA-ALDRICH CO. (US) 2010-05-04 US disclosed
US-20080064093-A1 COMPOSITIONS AND METHODS EMPLOYING ZWITTERIONIC DETERGENT COMBINATIONS SIGMA ALDRICH COMPANY (US) 2008-03-13 US disclosed
US-7282475-B2 Compositions and methods employing zwitterionic detergent combinations SIGMA-ALDRICH CO. (US) 2007-10-16 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 CYP1A2 4772/4885CYP3A4 4571/4885CYP2C19 4778/4885

“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.