SCHEMBL5231965

SCHEMBL5231965

CCCCOc1c(CO)n(CC(C)C)c(=O)c2cc(Cl)c(Cl)cc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.37
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE5A O76074 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PGR P06401 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL5240015 0.96 PDE5A (0.35) DPP4TSHRSMN1; SMN2HSD17B10TDP1
SCHEMBL5238974 0.90 ALDH1A1 (0.36) DPP4PDE5AALDH1A1PGRTHRA
SCHEMBL5238975 0.89 DPP4 (0.35) DPP4TSHRSMN1; SMN2HSD17B10TDP1
Hydrochloric Acid SCHEMBL5232890 0.87 DPP4 (0.44) DPP4
SCHEMBL5237079 0.85 SMN1; SMN2 (0.35) DPP4SMN1; SMN2ALDH1A1PGRTHRA
SCHEMBL5238883 0.85 ALDH1A1 (0.47) SMN1; SMN2HSD17B10ALDH1A1PGR
SCHEMBL5236184 0.85 DPP4 (0.43) DPP4
SCHEMBL5235009 0.85 DPP4 (0.38) DPP4ALDH1A1THRATHRB
SCHEMBL5239820 0.84 CASR (0.36) SMN1; SMN2TDP1L3MBTL1ALDH1A1THRA
Hydrochloric Acid SCHEMBL5234754 0.84 DPP4 (0.43) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1355886-B1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL (JP) 2007-07-11 EP disclosed
US-7034039-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-25 US disclosed
US-20040082607-A1 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-29 US disclosed
EP-1355886-A1 FUSED HETEROCYCLIC COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
WO-2002062764-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-15 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-20040082607-A1 Fused heterocyclic compounds DPP7, DPP4, METAP1 DPP4 2/4885TSHR 2475/4885SMN1; SMN2 4002/4885

“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.