SCHEMBL4067133

SCHEMBL4067133

CC(C)c1ccccc1-c1ccc(C(N)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
MKNK1 Q9BUB5 4/20 0.51
MKNK2 Q9HBH9 3/20 0.51
USP1 O94782 1/20 0.48
WDR48 Q8TAF3 1/20 0.48
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
CYP2C19 P33261 2/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
PARP1 P09874 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45

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
SCHEMBL2035474 0.84 CA12 (0.54) CA12CA1CA2CA9PPARA
SCHEMBL12172262 0.84 MAPT (0.55) CA12CA1CA2CA9PPARA
SCHEMBL4068672 0.82 BAZ2B (0.51) CA12CA1CA2CA9PARP1
SCHEMBL28264223 0.81 MKNK1 (0.61) CA12CA1CA2CA9MKNK1
SCHEMBL28162649 0.81 PARP10 (0.44) CA12CA1CA2CA9MKNK1
SCHEMBL4067125 0.80 GABRA1 (0.45) MKNK1MKNK2CYP2C19HSD17B10POLB
SCHEMBL8957560 0.79 CA12 (0.49) CA12CA1CA2CA9PPARA
Acetic Acid SCHEMBL9578985 0.78 CA12 (0.54) CA12CA1CA2CA9PPARA
SCHEMBL10094453 0.78 PTGS1 (0.48) MKNK1MKNK2PARP1PARP10CHEK2
SCHEMBL9451155 0.77 POLB (0.61) CA12CA1CA2CA9MKNK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049118-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SmithKline Beecham Corporation (US) 2009-04-22 EP claimed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO claimed
US-20220135536-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AKTIENGESELLSCHAFT (DE) 2022-05-05 US disclosed
US-8148535-B2 Potassium channel inhibitors MERCK SHARP & DOHME CORP. (US) 2012-04-03 US disclosed
US-20090233897-A1 Potassium Channel Inhibitors MERCK SHARP & DOHME CORP. 2009-09-17 US disclosed
EP-2049118-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SmithKline Beecham Corporation (US) 2009-04-22 EP disclosed
WO-2008011551-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-24 WO 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-20220135536-A1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH DHODH, DHPS, DPYD CA12 4848/4885CA1 4785/4885CA2 3827/4885
US-20090233897-A1 Potassium Channel Inhibitors KCNJ2, KCNQ2, KCNH2 CA12 4614/4885CA1 3210/4885CA2 269/4885

“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.