SCHEMBL10242014

SCHEMBL10242014

COc1n[nH]c2ccc(C(=O)C(C)(C)C)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.44
ACACA Q13085 2/20 0.44
LRRK2 Q5S007 2/20 0.41
JAK2 O60674 2/20 0.40
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
MAPK1 P28482 8/20 0.38
MAP2K4 P45985 3/20 0.38
MAPKAPK3 Q16644 3/20 0.38
MAPK6 Q16659 3/20 0.38
MAPKAPK2 P49137 1/20 0.37
MAPKAPK5 Q8IW41 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MET P08581 1/20 0.37
JAK1 P23458 1/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.36
STAT3 P40763 1/20 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
SCHEMBL4137466 0.89 ACACB (0.44) ACACBACACAMAPK1MAP2K4RAB9A
SCHEMBL2671776 0.84 MAP2K4 (0.50) ACACBACACALRRK2JAK2PRKAG1
SCHEMBL30189210 0.84 MAP2K4 (0.50) ACACBACACALRRK2JAK2PRKAG1
SCHEMBL29301471 0.82 KDM4E (0.50) LRRK2MAP2K4NPC1RAB9AKDM4E
SCHEMBL4137054 0.81 MAPK1 (0.43) JAK2MAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL10240133 0.81 JAK2 (0.58) JAK2JAK1
SCHEMBL4404504 0.80 MEN1 (0.45) ACACBACACALRRK2PRKAG1PRKAA1
SCHEMBL30147526 0.80 CCNC (0.50) LRRK2JAK2JAK1
SCHEMBL4399990 0.79 JAK2 (0.41) JAK2MAPK1MAP2K4MAPKAPK3MAPK6
SCHEMBL4400846 0.77 CCNC (0.47) ACACBACACAJAK2MAPK1MAP2K4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181252-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-11-10 US disclosed
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-06-04 US disclosed
US-8993586-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-03-31 US disclosed
US-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2015-01-22 US disclosed
US-8859773-B2 N1/N2-lactam acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-10-14 US disclosed
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC 2012-05-03 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 (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-20150025098-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ACACB 2/4885ACACA 1/4885LRRK2 404/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ACACB 2/4885ACACA 1/4885LRRK2 404/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ACACB 2/4885ACACA 1/4885LRRK2 404/4885

“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.