SCHEMBL3607188

SCHEMBL3607188

CC(C)(O)[C@H]1CCCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.44
CYP2C19 P33261 1/20 0.44
DPP4 P27487 2/20 0.42
FAP Q12884 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
RIPK1 Q13546 1/20 0.39
ACE P12821 4/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL17386569 1.00 LMNA (0.46) LMNAHSD17B10CYP2C19DPP4FAP
SCHEMBL18110887 1.00 LMNA (0.46) LMNAHSD17B10CYP2C19DPP4FAP
SCHEMBL18426220 0.88 HSD17B10 (0.43) LMNAHSD17B10CYP2C19DPP4ACE
SCHEMBL18426218 0.88 HSD17B10 (0.43) LMNAHSD17B10CYP2C19DPP4ACE
SCHEMBL22090116 0.88 RIPK1 (0.36) LMNAHSD17B10CYP2C19DPP4FAP
SCHEMBL22092815 0.88 RIPK1 (0.36) LMNAHSD17B10CYP2C19DPP4FAP
SCHEMBL2240055 0.86 LMNA (0.44) LMNAHSD17B10CYP2C19DPP4FAP
SCHEMBL29481524 0.86 LMNA (0.44) LMNAHSD17B10CYP2C19DPP4FAP
SCHEMBL1592790 0.80 LMNA (0.40) LMNAHSD17B10CYP2C19DPP4FAP
SCHEMBL22991074 0.79 DPP4 (0.43) LMNAHSD17B10DPP4FAPDPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 LMNA 4612/4885HSD17B10 417/4885CYP2C19 487/4885

“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.