SCHEMBL13201633

SCHEMBL13201633

CC[C@H](C)C(O)C(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
MME P08473 2/20 0.32
ACE P12821 2/20 0.32
CPA1 P15085 2/20 0.32
ACE2 Q9BYF1 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
TP53 P04637 1/20 0.30
TRPA1 O75762 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
SCHEMBL13201904 1.00 TSHR (0.38) TSHRALDH1A1CHRM4CHRM5CHRM1
SCHEMBL110700 1.00 TSHR (0.38) TSHRALDH1A1CHRM4CHRM5CHRM1
SCHEMBL106497 0.82 TSHR (0.36) TSHRALDH1A1CHRM4CHRM5CHRM1
SCHEMBL13172981 0.79 TSHR (0.38) TSHRTP53TRPA1
SCHEMBL10308338 0.76 TP53 (0.41) TSHRALDH1A1TP53
SCHEMBL108811 0.76
SCHEMBL458648 0.76
SCHEMBL3131000 0.76
SCHEMBL5173240 0.76
SCHEMBL13611698 0.76

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 2 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

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 TSHR 2730/4885ALDH1A1 1136/4885CHRM4 4763/4885

“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.