SCHEMBL1144882

SCHEMBL1144882

CCOc1cc(C(=O)O)cc2cn[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
NLRP3 Q96P20 6/20 0.45
POLB P06746 2/20 0.42
ALOX15 P16050 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
ALPL P05186 1/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CASP6 P55212 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1144543 0.87 MEN1 (0.44) NLRP3MAPTALPLCYP2C9CYP2C19
SCHEMBL1145055 0.84 CA12 (0.50) TSHRHTT
SCHEMBL1145116 0.79 ACACB (0.42) TSHRNLRP3ALOX15HRH3MEN1
SCHEMBL25048664 0.77 TSHR (0.46) TSHRPOLBALOX15HTTMAPT
SCHEMBL29835228 0.77 TSHR (0.46) TSHRPOLBALOX15HTTMAPT
SCHEMBL551333 0.75 ACACB (0.48)
SCHEMBL25048416 0.75 NLRP3 (0.73) NLRP3CYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL11577272 0.73 PLK4 (0.44) TSHRALOX15MEN1NPC1RAB9A
SCHEMBL1144199 0.73 CA12 (0.45) TSHRPOLBALOX15MAPTMEN1
SCHEMBL31637404 0.73 TSHR (0.44) TSHRPOLBALOX15HTTMAPT

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
US-8318762-B2 Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2012-11-27 US disclosed
US-20110028390-A1 Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER, INC. (US) 2011-02-03 US disclosed
US-20110028390-A1 Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER, INC. (US) 2011-02-03 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-20110028390-A1 Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB TSHR 3677/4885NLRP3 1713/4885POLB 1736/4885

“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.