Sugi Predict

Sugi Predict / Compounds / SCHEMBL2160967

SCHEMBL2160967

SCHEMBL2160967

COC(=O)c1cc(C)cc(C=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ ATM Q13315 1/20 0.53
▸ CNR2 P34972 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ XDH P47989 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ FUT7 Q11130 1/20 0.46

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
SCHEMBL24609716 0.88 ALDH1A1 (0.64) ALDH1A1ATMCNR2TDP1CA12
SCHEMBL3000000 0.88 ALDH1A1 (0.64) ALDH1A1ATMTDP1CA12CA1
SCHEMBL16769673 0.87 CNR2 (0.50) ALDH1A1ATMCNR2TDP1CA12
SCHEMBL16952182 0.85 CNR2 (0.49) ALDH1A1ATMCNR2TDP1CA12
SCHEMBL16957687 0.84 CNR2 (0.47) ALDH1A1ATMCNR2TDP1CA12
SCHEMBL7010309 0.83 CA12 (0.70) ALDH1A1ATMCNR2TDP1CA12
Methyl 3,5-Dimethylbenzoate SCHEMBL334346 0.82 CNR2 (0.66) ALDH1A1ATMCNR2TDP1CA12
SCHEMBL70232 0.82 ATM (0.61) ALDH1A1ATMCNR2TDP1CA12
SCHEMBL13898758 0.81 ALDH1A1 (0.56) ALDH1A1ATMTDP1CA12CA1
SCHEMBL16769670 0.81 CNR2 (0.53) ALDH1A1ATMCNR2TDP1CA12

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-9567302-B2 Carbamate compounds and of making and using same ABIDE THERAPEUTICS, INC. (US) 2017-02-14 — — US disclosed
US-20150080364-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME ABIDE THERAPEUTICS, INC. (US) 2015-03-19 — — US disclosed
US-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-07-28 — — US disclosed
US-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-07-28 — — US disclosed
US-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-07-28 — — US disclosed
WO-2010009047-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-01-21 — — 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-20110184029-A1 PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS DPYD, TYMP, PNPO ALDH1A1 460/4885ATM 3168/4885CNR2 3617/4885
US-20150080364-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME CPS1, FABP4, VHL ALDH1A1 2586/4885ATM 2923/4885CNR2 225/4885

“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.