SCHEMBL5458091

SCHEMBL5458091

CCOC(=O)C(C(=O)Cl)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.66
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
KMT2A Q03164 1/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 2/20 0.49
PIN1 Q13526 1/20 0.49
SLC6A2 P23975 3/20 0.47
SLC6A3 Q01959 3/20 0.47
SLC6A4 P31645 2/20 0.47
SRC P12931 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL266419 0.89 MMP8 (0.74) MMP8MEN1NPC1KMT2ACA12
SCHEMBL28674585 0.87 MMP8 (0.72) MMP8MEN1NPC1KMT2ACA12
SCHEMBL31069943 0.87 MMP8 (0.72) MMP8MEN1NPC1KMT2ACA12
SCHEMBL1275691 0.85 MMP8 (0.70) MMP8MEN1NPC1KMT2ACA12
SCHEMBL11679477 0.85 KMT2A (0.60) MMP8MEN1KMT2ASLC6A2SLC6A3
SCHEMBL28474562 0.84 MMP8 (0.73) MMP8MEN1NPC1KMT2ACA12
Hydrochloric Acid SCHEMBL10677191 0.84 MMP8 (0.68) MMP8MEN1NPC1KMT2ACA12
SCHEMBL6959479 0.84 MMP8 (0.68) MMP8MEN1NPC1KMT2ACA12
SCHEMBL583575 0.84 MMP8 (0.68) MMP8MEN1NPC1KMT2ACA12
Ethane SCHEMBL27824026 0.84 MMP8 (0.68) MMP8MEN1NPC1KMT2ACA12

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
US-20070015766-A1 Quinoline Derivatives as NK-3 and NK-2 Antagonists GlaxoSmithKline S.P.A. & Laboratoire 2007-01-18 US disclosed
US-20040082589-A1 Quinoline derivatives as nk-3 and nk-2 antagonists GLAXOSMITHKLINE S.P.A. (IT) 2004-04-29 US disclosed
EP-1334089-A1 QUINOLINE DERIVATIVES AS NK-3 AND NK-2 ANTAGONISTS GlaxoSmithKline S.p.A. (IT) 2003-08-13 EP disclosed
WO-2002038547-A1 QUINOLINE DERIVATIVES AS NK-3 AND NK-2 ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2002-05-16 WO disclosed
US-4735959-A HYPOGLYCEMIC AGENTS DR. KARL THOMAE GMBH (DE) 1988-04-05 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 (2 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-20040082589-A1 Quinoline derivatives as nk-3 and nk-2 antagonists KCNH3, KCNH2, KCNK3 MMP8 2613/4885MEN1 3737/4885NPC1 479/4885
US-20070015766-A1 Quinoline Derivatives as NK-3 and NK-2 Antagonists KCNK3, KCNQ3, ACKR3 MMP8 2998/4885MEN1 1861/4885NPC1 910/4885

“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.