SCHEMBL8277388

SCHEMBL8277388

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DPP4 P27487 2/20 0.33
FAP Q12884 2/20 0.33
PITRM1 Q5JRX3 2/20 0.33
DPP8 Q6V1X1 2/20 0.33
DPP9 Q86TI2 2/20 0.33
DPP7 Q9UHL4 2/20 0.33
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 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
SCHEMBL8277385 0.98 TSHR (0.33) ALDH1A1SMN1; SMN2DPP4FAPPITRM1
SCHEMBL8277960 0.81 CYP2C19 (0.41) ALDH1A1SMN1; SMN2DPP4FAPPITRM1
SCHEMBL8277249 0.78 TSHR (0.42) DPP4FAPPITRM1DPP8DPP9
SCHEMBL13201634 0.77 DPP4 (0.31) DPP4FAPPITRM1DPP8DPP9
SCHEMBL13201636 0.74 TSHR (0.31) TSHRNFKB1CYP2C19
SCHEMBL13640446 0.73 TSHR (0.47) TSHRNFKB1CYP2C19
SCHEMBL14899074 0.73 CYP2C19 (0.34) ALDH1A1SMN1; SMN2DPP4FAPPITRM1
SCHEMBL13463608 0.71 EPHX1 (0.32)
SCHEMBL14899073 0.71 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2DPP4FAPPITRM1
SCHEMBL18789723 0.71 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2DPP4FAPPITRM1

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
WO-2006007700-A1 HEPATITIS C INHIBITOR DIPEPTIDE ANALOGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-01-26 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-20090156822-A1 Hepatitis C Inhibitor Dipeptide Analogs DPP3, CTSC, ANPEP ALDH1A1 1136/4885SMN1; SMN2 4344/4885DPP4 9/4885

“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.