Sugi Predict

Sugi Predict / Compounds / SCHEMBL4400592

SCHEMBL4400592

SCHEMBL4400592

Cn1[nH]c2ccc(C(=O)C(C)(C)C)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.47
▸ ACACB O00763 2/20 0.43
▸ ACACA Q13085 2/20 0.43
▸ HPD P32754 6/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ B3GNT2 Q9NY97 1/20 0.35
▸ MPO P05164 1/20 0.34
▸ XDH P47989 1/20 0.34
▸ PGR P06401 1/20 0.34
▸ AR P10275 1/20 0.34
▸ KIF11 P52732 1/20 0.34
▸ NOX4 Q9NPH5 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 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
SCHEMBL4140245 0.88 ALOX5 (0.47) ALOX5ACACBACACAHPDKDM4E
SCHEMBL2671424 0.83 ALOX5 (0.51) ALOX5ACACBACACAKDM4ETP53
SCHEMBL4404902 0.83 ALOX5 (0.51) ALOX5ACACBACACAHPDKDM4E
SCHEMBL2054602 0.74 ALOX5 (0.53) ALOX5ACACBACACAKDM4ETP53
SCHEMBL12673423 0.73 B3GNT2 (0.49) B3GNT2PGR
SCHEMBL4402967 0.70 ALOX5 (0.51) ALOX5ACACBACACAKDM4ETP53
SCHEMBL2671133 0.70 KDM4E (0.52) ALOX5KDM4EALDH1A1THRBHPGD
SCHEMBL12673440 0.69 MEN1 (0.46) KDM4ERAB9AALDH1A1THRB
SCHEMBL2056375 0.68 ALOX5 (0.53) ALOX5KDM4ETP53PGRKIF11
SCHEMBL18152573 0.68 ADAM17 (0.54) ALOX5KDM4ETP53NPC1RAB9A

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 ALOX5 3197/4885ACACB 2/4885ACACA 1/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ALOX5 3197/4885ACACB 2/4885ACACA 1/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ALOX5 3197/4885ACACB 2/4885ACACA 1/4885

“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.