SCHEMBL1144686

SCHEMBL1144686

CCC(=O)c1cc(Br)cc(Cl)c1N

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
GAA P10253 4/20 0.36
KDM4E B2RXH2 4/20 0.36
GLA P06280 3/20 0.36
HPGD P15428 3/20 0.36
HSP90AB1 P08238 1/20 0.36
POLB P06746 1/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HMGCR P04035 1/20 0.34
GPR35 Q9HC97 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP1A2 P05177 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL27833587 0.81 HSP90AB1 (0.41) ALDH1A1KDM4EHSP90AB1TSHRMAPT
SCHEMBL29947046 0.80 GAA (0.40) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL1144508 0.80 GAA (0.40) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL20392559 0.79 DGAT1 (0.40) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL11626726 0.78 POLB (0.39) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL1571554 0.78 KDM4E (0.50) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL17376182 0.78 ALDH1A1 (0.40) ALDH1A1GAAKDM4EGLAPOLB
SCHEMBL17653378 0.77 HMGCR (0.50) ALDH1A1KDM4EPOLBMAPTNPSR1
Hydrochloric Acid SCHEMBL11626730 0.77 KDM4E (0.48) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL24792656 0.76 GAA (0.49) ALDH1A1GAAKDM4EGLAHPGD

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 ALDH1A1 164/4885GAA 587/4885KDM4E 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.