SCHEMBL20282975

SCHEMBL20282975

CC(C)C(=O)[C@H](CCCNC(CO)c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 13/20 0.43
UTS2R Q9UKP6 3/20 0.41
CNR1 P21554 1/20 0.41
PHGDH O43175 1/20 0.40

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
SCHEMBL680837 0.93 CNR1 (0.42) GPR88UTS2RCNR1PHGDH
SCHEMBL680232 0.83 TAS1R3 (0.43) UTS2RCNR1
SCHEMBL12188442 0.81 CNR1 (0.44) GPR88UTS2RCNR1PHGDH
SCHEMBL10258482 0.78 CNR1 (0.44) UTS2RCNR1PHGDH
SCHEMBL681345 0.74 FFAR2 (0.43) CNR1
SCHEMBL680703 0.72 CYP2D6 (0.58)
SCHEMBL2439835 0.71 POLB (0.53) GPR88
SCHEMBL14197228 0.70 GPR88 (0.49) GPR88UTS2RPHGDH
SCHEMBL21490939 0.70 EPHX2 (0.48)
SCHEMBL21490940 0.70 EPHX2 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2018-06-21 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-20180169099-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 GPR88 1753/4885UTS2R 2187/4885CNR1 2540/4885

“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.