SCHEMBL2643144

SCHEMBL2643144

CC(C)(C)OC(=O)N(Cc1ccc(C(=O)NCC(=N)NO)cc1)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 5/20 0.46
▸ HDAC6 Q9UBN7 4/20 0.46
▸ HDAC3 O15379 2/20 0.46
▸ NR1H4 Q96RI1 7/20 0.43
▸ GCGR P47871 2/20 0.43
▸ GIPR P48546 2/20 0.43
▸ GLP1R P43220 1/20 0.43
▸ PTGES O14684 2/20 0.43
▸ ALOX5 P09917 2/20 0.43
▸ EPHX2 P34913 7/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HDAC11 Q96DB2 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL2651759 0.83 EPHX2 (0.46) HDAC8HDAC6HDAC3NR1H4GCGR
SCHEMBL2643761 0.82 EPHX2 (0.47) HDAC8HDAC6HDAC3NR1H4GCGR
SCHEMBL2643187 0.80 CA1 (0.53) HDAC6HDAC3NR1H4GCGRGIPR
SCHEMBL2643233 0.80 PTGES (0.63) HDAC3NR1H4GCGRGIPRGLP1R
SCHEMBL4092847 0.75 GCGR (0.57) NR1H4GCGRGIPREPHX2
SCHEMBL2651773 0.74 EPHX2 (0.41) HDAC8HDAC6HDAC3NR1H4GCGR
SCHEMBL2643757 0.74 PTGES (0.52) HDAC8HDAC6HDAC3NR1H4GCGR
SCHEMBL22236345 0.72 HDAC1 (0.53) HDAC8HDAC6HDAC3NR1H4PTGES
SCHEMBL20401146 0.71 PTGES (0.48) HDAC3NR1H4PTGESALOX5MEN1
SCHEMBL13605087 0.70 PTPRC (0.57) HDAC8HDAC6HDAC3NR1H4EPHX2

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
US-20040116483-A1 Glucagon antagonists/inverse agonists BEHRENS CARSTEN (DK) 2004-06-17 — — US disclosed
US-6649641-B2 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-11-18 — — US disclosed
US-20030203946-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2003-10-30 — — US disclosed
US-20020187982-A1 Glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2002-12-12 — — 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-20020187982-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR HDAC8 2882/4885HDAC6 3661/4885HDAC3 1032/4885
US-20030203946-A1 Glucagon antagonists/inverse agonists GLP1R, GPR119, GCGR HDAC8 2882/4885HDAC6 3661/4885HDAC3 1032/4885

“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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