SCHEMBL1077996

SCHEMBL1077996

Cc1c(Cl)sc(N(C)C(=O)Cc2ccccc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 6/20 0.41
▸ CA1 P00915 6/20 0.41
▸ CA2 P00918 6/20 0.41
▸ CA5A P35218 6/20 0.41
▸ CA9 Q16790 6/20 0.41
▸ CA5B Q9Y2D0 6/20 0.41
▸ GRM6 O15303 2/20 0.40
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ ITGB1 P05556 1/20 0.35

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
SCHEMBL1077040 0.83 RAB9A (0.40) CA12CA1CA2CA5ACA9
SCHEMBL11456255 0.69 MEN1 (0.44) CA12CA1CA2CA5ACA9
SCHEMBL8263373 0.68 ALDH1A1 (0.58) TRPM8MEN1KMT2AALOX5NPC1
SCHEMBL27699387 0.68 CES2 (0.54) CA12CA9TRPM8L3MBTL1MEN1
SCHEMBL339507 0.66 CES2 (0.56) CA12CA9TRPM8MEN1KMT2A
SCHEMBL5232476 0.65 SRD5A2 (0.51) MEN1KMT2AALOX5MAPTPOLB
SCHEMBL2948755 0.64 ALOX5 (0.72) TRPM8ALOX5NPC1RAB9A
Hydrochloric Acid SCHEMBL68638 0.64 CES2 (0.54) CA12CA9TRPM8MEN1KMT2A
SCHEMBL8629628 0.64 DAO (0.42) GRM6MEN1KMT2AMAPTPOLB
SCHEMBL11230235 0.64 ALOX5 (0.49) CA12CA9TRPM8MEN1KMT2A

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-1915150-B1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 2011-01-26 — — EP disclosed
US-20090105293-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK PATENT GESELLSCHAFT (DE) 2009-04-23 — — US disclosed
EP-1754483-A1 Use of thienopyridone derivatives as AMPK activators and pharmaceutical compositions containing them Merck Sante (FR) 2007-02-21 — — EP disclosed
US-5602144-A ADMINISTERING FOR TREATMENT OF CEREBRAL ISCHAEMIA OR SCHIZOPHRENIA MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-02-11 — — 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-20090105293-A1 USE OF THIENOPYRIDONE DERIVATIVES AS AMPK ACTIVATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PRKAR2A, PRKAR2B, PRKAB1 CA12 4882/4885CA1 4881/4885CA2 4236/4885

“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.

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