SCHEMBL2979888

SCHEMBL2979888

COC(=O)C(CC=O)(NC(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
KCNN4 O15554 1/20 0.44
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ATM Q13315 1/20 0.39
IDO1 P14902 1/20 0.38
AKT1 P31749 2/20 0.38
MAPK10 P53779 1/20 0.38
CYP2C19 P33261 1/20 0.37
HIF1A Q16665 1/20 0.37
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
CTSS P25774 1/20 0.36

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
SCHEMBL2972629 0.90 MAPT (0.54) MAPTKCNN4CA12CA1CA7
SCHEMBL5926048 0.86 NPC1 (0.46) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL28318676 0.86 KCNN4 (0.46) MAPTKCNN4CA12CA1CA7
SCHEMBL3375626 0.82 MAPT (0.42) MAPTCA12CA1CA7CA14
SCHEMBL6473387 0.81 MAPT (0.45) MAPTCA12CA1CA7CA14
SCHEMBL8219589 0.81 MAPT (0.45) MAPTCA12CA1CA7CA14
SCHEMBL28280071 0.78 KCNN4 (0.53) MAPTKCNN4CYP2C19HIF1AKMT2A
SCHEMBL7849694 0.77 MAPT (0.39) MAPTCA12CA1CA7CA14
SCHEMBL7319974 0.77 CA12 (0.43) CA12CA1CA7CA14ATM
SCHEMBL27158981 0.77 CA12 (0.43) CA12CA1CA7CA14ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786163-B2 Constrained cyano compounds Forest Laboratories Holdings Limited (BM) 2010-08-31 US disclosed
US-7786163-B2 Constrained cyano compounds Forest Laboratories Holdings Limited (BM) 2010-08-31 US disclosed
US-7786163-B2 Constrained cyano compounds Forest Laboratories Holdings Limited (BM) 2010-08-31 US disclosed
EP-1778220-A1 CONSTRAINED CYANO COMPOUNDS Phenomix Corporation (US) 2007-05-02 EP disclosed
WO-2006017292-A1 CONSTRAINED CYANO COMPOUNDS PHENOMIX CORPORATION (US) 2006-02-16 WO disclosed
US-20060009518-A1 Constrained cyano compounds Forest Laboratories Holding Limited (BM) 2006-01-12 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 (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-20060009518-A1 Constrained cyano compounds DNPEP, PREP, PEPD MAPT 4255/4885KCNN4 4368/4885CA12 1118/4885

“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.