SCHEMBL1144980

SCHEMBL1144980

CCn1cc(O)c(C(C)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.47
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.40
SMN1; SMN2 Q16637 7/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 8/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 2/20 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
SCHEMBL30133847 0.79 NPC1 (0.68) NPC1ALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL1144673 0.76 PARP1 (0.45) NPC1ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL1144387 0.74 LMNA (0.36) NPC1ALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL23459922 0.73 NPC1 (0.41) NPC1ALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL25332432 0.73 NPC1 (0.47) NPC1ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL899018 0.72 AADAT (0.45) NPC1L3MBTL1SMN1; SMN2RAB9AGAA
SCHEMBL9950869 0.71
SCHEMBL23401256 0.69 HTT (0.42) NPC1ALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL3676954 0.69 NPC1 (0.47) NPC1ALDH1A1KDM4EL3MBTL1SMN1; SMN2
SCHEMBL334433 0.69 NAMPT (0.54) NPC1ALDH1A1KDM4EL3MBTL1SMN1; SMN2

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-2297163-B1 Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER (US) 2015-07-08 EP disclosed
US-8318762-B2 Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2012-11-27 US disclosed
EP-2297163-A1 PYRAZOLOSPIROKETONE ACETYL-C0A CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2011-03-23 EP disclosed
US-20110028390-A1 Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER, INC. (US) 2011-02-03 US disclosed
WO-2009144554-A1 PYRAZOLOSPIROKETONE ACETYL-C0A CARBOXYLASE INHIBITORS PFIZER, INC. (US) 2009-12-03 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-20110028390-A1 Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB NPC1 555/4885ALDH1A1 164/4885KDM4E 1055/4885

“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.