SCHEMBL4137619

SCHEMBL4137619

COc1nccc2cc(C(=O)C(C)(C)C)ccc12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HIPK2 Q9H2X6 2/20 0.45
CSNK2A1 P68400 1/20 0.45
ACACB O00763 2/20 0.43
ACACA Q13085 2/20 0.43
HPGD P15428 1/20 0.43
APAF1 O14727 1/20 0.42
NSD2 O96028 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
NR1H4 Q96RI1 2/20 0.39
GRM4 Q14833 8/20 0.38
TRPA1 O75762 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HDAC6 Q9UBN7 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
SCHEMBL4145126 0.89 ACACB (0.43) HIPK2CSNK2A1ACACBACACAHPGD
SCHEMBL29830673 0.84 KDM4E (0.50) HIPK2CSNK2A1ACACBACACAHPGD
SCHEMBL2671852 0.84 KDM4E (0.50) HIPK2CSNK2A1ACACBACACAHPGD
SCHEMBL31187507 0.82 CSNK2A1 (0.47) HIPK2CSNK2A1HPGDAPAF1NSD2
SCHEMBL17142202 0.82 CSNK2A1 (0.47) HIPK2CSNK2A1HPGDAPAF1NSD2
SCHEMBL4403774 0.80 CSNK2A1 (0.45) HIPK2CSNK2A1ACACBACACAHPGD
SCHEMBL4146085 0.77 HIPK2 (0.45) HIPK2CSNK2A1ACACBACACAAPAF1
SCHEMBL9880927 0.74 TRPA1 (0.42) ACACBACACAHPGDL3MBTL1GRM4
SCHEMBL4145846 0.74 ALDH1A1 (0.50) ACACBACACAHPGDKDM4E
SCHEMBL30229317 0.73 NNMT (0.48) HIPK2CSNK2A1HPGDAPAF1NSD2

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 11 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-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-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-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-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-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 HIPK2 4621/4885CSNK2A1 584/4885ACACB 2/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY HIPK2 4621/4885CSNK2A1 584/4885ACACB 2/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY HIPK2 4621/4885CSNK2A1 584/4885ACACB 2/4885

“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.