SCHEMBL1758985

SCHEMBL1758985

N#Cc1n[nH]c2ccc(C(=O)O)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 6/20 0.47
MAPK1 P28482 5/20 0.47
MAPK6 Q16659 4/20 0.47
MAPKAPK3 Q16644 3/20 0.47
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
HPGD P15428 1/20 0.43
ITK Q08881 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
KMT2A Q03164 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL2671147 0.88 MAP2K4 (0.47) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL4403755 0.86 ACACB (0.43) MAP2K4MAPK1MAPK6MAPKAPK3ITK
SCHEMBL4403097 0.82 ACACB (0.45) MAP2K4MAPK1MAPK6MAPKAPK3ITK
SCHEMBL1759274 0.82 KDM4E (0.47) MAP2K4KDM4EALDH1A1HPGDACACB
SCHEMBL18555394 0.79 HCRTR1 (0.53) MAPK1KDM4EALDH1A1HPGDJAK2
SCHEMBL2671070 0.77 MAP2K4 (0.55) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL117222 0.77 JAK2 (0.64) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL1145076 0.76 MAP2K4 (0.57) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL17514182 0.76 MAP2K4 (0.50) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E
SCHEMBL2560742 0.76 MAP2K4 (0.50) MAP2K4MAPK1MAPK6MAPKAPK3KDM4E

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2952514-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2015-12-09 EP disclosed
EP-2699576-B1 PYRAZOLOSPIROKETONE DERIVATIVES FOR USE AS ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2015-12-09 EP disclosed
EP-2699576-B1 PYRAZOLOSPIROKETONE DERIVATIVES FOR USE AS ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2015-12-09 EP disclosed
US-20150336958-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-11-26 US disclosed
US-20150336958-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-11-26 US disclosed
EP-2947082-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2015-11-25 EP disclosed
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
US-9139587-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-09-22 US disclosed
US-9139587-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-09-22 US disclosed
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC 2012-05-03 US disclosed
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC 2012-05-03 US disclosed
WO-2012056372-A1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-05-03 WO disclosed
WO-2012056372-A1 N1/N2-LACTAM ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-05-03 WO disclosed
WO-2011058473-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
WO-2011058473-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
WO-2011058474-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
WO-2011058474-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC 2011-05-12 US disclosed
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC 2011-05-12 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 (3 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-20150336958-A1 SUBSTITUTED ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, ACAT1 MAP2K4 4096/4885MAPK1 2558/4885MAPK6 3252/4885
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB MAP2K4 2853/4885MAPK1 1536/4885MAPK6 2642/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY MAP2K4 4480/4885MAPK1 3158/4885MAPK6 4103/4885

“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.