SCHEMBL13201634

SCHEMBL13201634

CC(C)C(=O)C(O)C1(C)CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.31
FAP Q12884 1/20 0.31
PITRM1 Q5JRX3 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL13201636 0.98 TSHR (0.31) TSHRNFKB1CYP2C19
SCHEMBL8277960 0.77 CYP2C19 (0.41) DPP4FAPPITRM1DPP8DPP9
SCHEMBL8277388 0.77 ALDH1A1 (0.34) DPP4FAPPITRM1DPP8DPP9
SCHEMBL13934062 0.76 TSHR (0.31) TSHRNFKB1CYP2C19
SCHEMBL8277385 0.75 TSHR (0.33) DPP4FAPPITRM1DPP8DPP9
SCHEMBL8277249 0.75 TSHR (0.42) DPP4FAPPITRM1DPP8DPP9
SCHEMBL6755980 0.71 IDO1 (0.31)
SCHEMBL12855376 0.71 IDO1 (0.31)
SCHEMBL13640446 0.70 TSHR (0.47) TSHRNFKB1CYP2C19
Cyclohexane SCHEMBL3463183 0.69 TP53 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767818-B2 Hepatitis C inhibitor dipeptide analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-03 US disclosed
US-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-18 US disclosed
US-7511157-B2 racemic mixtures, stereoisomers or optical isomers, useful as protease inhibitors; viricides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-03-31 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-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs DPP3, CTSC, ANPEP DPP4 9/4885FAP 102/4885PITRM1 105/4885

“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.