SCHEMBL4145126

SCHEMBL4145126

COc1nccc2ccc(C(=O)C(C)(C)C)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.43
ACACA Q13085 3/20 0.43
HIPK2 Q9H2X6 2/20 0.40
CSNK2A1 P68400 1/20 0.40
APAF1 O14727 1/20 0.39
NSD2 O96028 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PLAU P00749 3/20 0.39
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 2/20 0.35
TRPA1 O75762 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL4137619 0.89 HIPK2 (0.45) ACACBACACAHIPK2CSNK2A1APAF1
SCHEMBL2671945 0.84 PLAU (0.55) ACACBACACAHIPK2CSNK2A1APAF1
SCHEMBL2671189 0.82 ALOX15 (0.49) ACACBACACAHIPK2CSNK2A1APAF1
SCHEMBL18553875 0.82 PLAU (0.47) ACACBACACAHIPK2CSNK2A1APAF1
SCHEMBL4404806 0.80 MEN1 (0.45) ACACBACACAHIPK2CSNK2A1APAF1
SCHEMBL4146071 0.77 ACACB (0.43) ACACBACACAHIPK2CSNK2A1PLAU
SCHEMBL4145275 0.74 ALDH1A1 (0.50) ACACBACACAL3MBTL1PLAUMAPT
SCHEMBL26932395 0.73 MAPT (0.43) PLAUMAPTTRPA1CYP1A2CYP3A4
SCHEMBL28000180 0.72 PLAU (0.48) PLAUMAPTHPGDKDM4ETRPA1
SCHEMBL13875972 0.72 KCNK3 (0.48) KDM4E

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 ACACB 2/4885ACACA 1/4885HIPK2 4621/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ACACB 2/4885ACACA 1/4885HIPK2 4621/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ACACB 2/4885ACACA 1/4885HIPK2 4621/4885

“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.