SCHEMBL1144199

SCHEMBL1144199

O=C(O)c1cc(O)c2[nH]ncc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA7 P43166 3/20 0.45
CA9 Q16790 3/20 0.45
CA14 Q9ULX7 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
CA4 P22748 2/20 0.45
CA6 P23280 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CA3 P07451 1/20 0.45
SELL P14151 1/20 0.45
HPGD P15428 1/20 0.45
SELP P16109 1/20 0.45
FUT4 P22083 1/20 0.45
DPP4 P27487 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL11577272 0.82 PLK4 (0.44) CA12CA1CA2CA7CA9
SCHEMBL1144369 0.81 TTR (0.46) ALDH1A1HSD17B10TDP1ALOX15TSHR
SCHEMBL31662419 0.81 TTR (0.46) ALOX15TSHRHIF1APOLBCTNNB1
SCHEMBL551333 0.81 ACACB (0.48) ACACBACACA
SCHEMBL1145116 0.78 ACACB (0.42) ALDH1A1MAPK1ALOX15TSHRHIF1A
SCHEMBL2672110 0.77 RXRA (0.55) SMN1; SMN2ALOX15TSHRHIF1ACTNNB1
SCHEMBL1145055 0.77 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL1144899 0.77 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL28851098 0.75 FGFR1 (0.39) KDM4EMAPTLMNASMN1; SMN2HSD17B10
SCHEMBL1144882 0.73 TSHR (0.46) MAPTALOX15TSHRPOLBL3MBTL1

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 CA12 2784/4885CA1 1728/4885CA2 1156/4885

“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.