SCHEMBL2328858

SCHEMBL2328858

C=CCC(CC(=O)O)(C(=O)OC)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7438667 0.83 MAPT (0.36) MAPTCYP2C19POLBTDP1
SCHEMBL28728319 0.73 MAPT (0.47) MAPTCYP2C19POLBTDP1
SCHEMBL27853216 0.70 MAPT (0.36) MAPTCYP2C19POLBTDP1
SCHEMBL13166436 0.69 TAS1R3 (0.33)
SCHEMBL15164160 0.69 TSHR (0.39)
SCHEMBL1361079 0.68 CYP2C19 (0.39) MAPTCYP2C19POLBTDP1
SCHEMBL27412775 0.68 MAPT (0.41) MAPTCYP2C19POLBTDP1
SCHEMBL770755 0.68 CYP2C19 (0.39) MAPTCYP2C19POLBTDP1
SCHEMBL11740552 0.67 MAPT (0.39) MAPTCYP2C19POLBTDP1
SCHEMBL7975198 0.67 MAPT (0.39) MAPTCYP2C19POLBTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040526-B2 Benzylpyrrolidinone derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-26 US disclosed
US-9040526-B2 Benzylpyrrolidinone derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-26 US disclosed
US-9040526-B2 Benzylpyrrolidinone derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2015-05-26 US disclosed
EP-2534158-B1 BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
EP-2534158-B1 BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-01-08 EP disclosed
EP-2534158-A1 BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2012-12-19 EP disclosed
US-20120295899-A1 BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2012-11-22 US disclosed
US-20120295899-A1 BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2012-11-22 US disclosed
US-20120295899-A1 BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2012-11-22 US disclosed
WO-2011100227-A1 BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 WO disclosed
WO-2011100227-A1 BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-18 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-20120295899-A1 BENZYLPYRROLIDINONE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCR2, CCR3 MAPT 4751/4885CYP2C19 1408/4885POLB 2869/4885

“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.