SCHEMBL16167682

SCHEMBL16167682

COc1cc(C(=O)C(C)(C)C)cc2c(C)n[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
ADORA2A P29274 2/20 0.34
ADORA2B P29275 2/20 0.34
TSHR P16473 2/20 0.33
APOBEC3A P31941 1/20 0.33
HTT P42858 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CNR2 P34972 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32

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
SCHEMBL4403769 0.84 LMNA (0.49) LMNAADORA2AADORA2BTSHRHTT
SCHEMBL1144821 0.84 CNR2 (0.49) LMNATSHRHTTCNR2CA12
SCHEMBL4140051 0.84 ADORA2A (0.38) LMNAADORA2AADORA2B
SCHEMBL1144834 0.80 HSD17B2 (0.49) LMNATSHRCA12CA1CA2
SCHEMBL4137054 0.71 MAPK1 (0.43) ADORA2AADORA2BCYP1A2
SCHEMBL4137015 0.70 METAP2 (0.45) CYP1A2PKMMEN1KMT2A
SCHEMBL462588 0.70 TUBB4A (0.51) LMNATSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL16167688 0.70 ACACB (0.30)
SCHEMBL31637404 0.69 TSHR (0.44) LMNATSHRHTTCYP2C9CYP2C19
SCHEMBL31637418 0.69 PDE4D (0.45) CA12CA1CA2CA7CA9

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 LMNA 1674/4885ADORA2A 3356/4885ADORA2B 2837/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY LMNA 1674/4885ADORA2A 3356/4885ADORA2B 2837/4885

“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.