SCHEMBL4397837

SCHEMBL4397837

CC(C)(C)C(=O)c1cnc2[nH]cc(Cl)c2c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 0.45
ITK Q08881 15/20 0.45
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
CDK8 P49336 1/20 0.38
SGK1 O00141 2/20 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
SCHEMBL17786923 0.83 ITK (0.45) BTKITKACACBACACAPRMT5
SCHEMBL2671287 0.81 AXL (0.45) BTKITKACACBACACASGK1
SCHEMBL29564788 0.81 AXL (0.45) BTKITKACACBACACASGK1
SCHEMBL4153125 0.77 ACACB (0.43) ACACBACACA
SCHEMBL19754798 0.73 BTK (0.38) BTKITKACACBACACAPRMT5
SCHEMBL4400579 0.73 ACACB (0.41) ACACBACACA
SCHEMBL24198765 0.73 KMT2A (0.46)
SCHEMBL12664142 0.71 HDAC6 (0.36) CDK8
SCHEMBL91445 0.71 AXL (0.41) BTKITKPRMT5WDR77
SCHEMBL31482897 0.70 ACACB (0.48) BTKITKACACBACACA

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 BTK 3007/4885ITK 4793/4885ACACB 2/4885
US-20150152109-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY BTK 3007/4885ITK 4793/4885ACACB 2/4885
US-20120108619-A1 N1/N2-LACTAM ACETYL-COA CARBOXYLASE INHIBITORS ACACA, ACACB, COASY BTK 3007/4885ITK 4793/4885ACACB 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.