SCHEMBL4137438

SCHEMBL4137438

COc1cccc2ncc(C(=O)C(C)(C)C)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PDE10A Q9Y233 1/20 0.41
HPGDS O60760 2/20 0.41
MGLL Q99685 1/20 0.40
SRC P12931 1/20 0.39
TGFBR1 P36897 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PDPK1 O15530 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
ALPL P05186 1/20 0.38
FGFR2 P21802 1/20 0.38
PDE4B Q07343 1/20 0.38
MTNR1B P49286 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL19329127 0.86 HPGDS (0.52) HSD17B10SMN1; SMN2L3MBTL1PDE10AHPGDS
SCHEMBL4404909 0.84 RXFP1 (0.46) ACACBACACAHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL30440820 0.84 MGAM (0.51) ACACBACACAHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL2202272 0.84 MGAM (0.51) ACACBACACAHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL30829596 0.84 MGAM (0.51) ACACBACACAHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL2201313 0.83 ALPL (0.47) HSD17B10SMN1; SMN2L3MBTL1PDE10AHPGDS
SCHEMBL2199970 0.78 PDGFRB (0.52) SMN1; SMN2PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL4145910 0.78 HPGDS (0.67) ACACBACACAL3MBTL1HPGDSPDE3B
SCHEMBL4145275 0.75 ALDH1A1 (0.50) ACACBACACAHSD17B10SMN1; SMN2L3MBTL1
SCHEMBL21849067 0.75 FGFR2 (0.45) SMN1; SMN2PDE10APDE3BPDE3APDPK1

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 1/4885HSD17B10 125/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ACACB 2/4885ACACA 1/4885HSD17B10 125/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY ACACB 2/4885ACACA 1/4885HSD17B10 125/4885

“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.