Phenol

Phenol

SCHEMBL5134435

Cc1cccc(S(N)(=O)=O)c1C.Oc1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.44
TRPA1 O75762 1/20 0.44
ATM Q13315 1/20 0.44
CA1 P00915 10/20 0.43
CA2 P00918 10/20 0.43
CA9 Q16790 9/20 0.43
CA12 O43570 4/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 2/20 0.41
CYP2C9 P11712 2/20 0.41
CA5A P35218 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA7 P43166 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
LDHA P00338 1/20 0.41
MCL1 Q07820 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL401308 0.87 CA2 (0.47) CDK2TRPA1ATMCA1CA2
SCHEMBL31310995 0.87 CA2 (0.47) CDK2TRPA1ATMCA1CA2
Hydrochloric Acid SCHEMBL19211699 0.85 CA2 (0.45) CDK2TRPA1ATMCA1CA2
Hydrochloric Acid SCHEMBL1017217 0.85 CA2 (0.45) CDK2TRPA1ATMCA1CA2
SCHEMBL27560440 0.80 CA2 (0.41) CDK2TRPA1ATMCA1CA2
Trifluoroacetic Acid SCHEMBL3610284 0.80 ALDH1A1 (0.42) CDK2TRPA1ATMCA1CA2
Benzene SCHEMBL28180960 0.77 CA2 (0.54) CA1CA2CA9CA12CA4
SCHEMBL10808580 0.77 CA2 (0.52) CDK2CA1CA2CA9CA12
Phenol SCHEMBL27466375 0.77 TDP1 (0.58) TRPA1ATMCA1CA2CA9
Hydroquinone SCHEMBL28072711 0.77 ESR1 (0.44) TRPA1ATMMCL1HSD17B10ALDH1A1

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-20120295973-A1 METHODS AND COMPOSITIONS OF DERIVATIVES OF PROBUCOL FOR THE TREATMENT OF DIABETES SALUTRIA PHARMACEUTICALS LLC 2012-11-22 US disclosed
US-8252840-B2 administering monoesters of probucol, such as AGI-1067, succinobucol SALUTRIA PHARMACEUTICALS LLC (US) 2012-08-28 US disclosed
US-20080280979-A1 Methods and Compositions of Derivatives of Probucol for the Treatment of Diabetes CRABTREE ACQUISITION CO, LLC 2008-11-13 US disclosed
US-20050196819-A1 Methods and compositions to lower plasma cholesterol levels ATHEROGENICS PHARMACEUTICALS, INC. 2005-09-08 US disclosed
US-6887712-B1 Methods and compositions to lower plasma cholesterol levels ATHEROGENICS, INC. (US) 2005-05-03 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 (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-20080280979-A1 Methods and Compositions of Derivatives of Probucol for the Treatment of Diabetes PNLIP, SLC5A2, LIPC CDK2 4693/4885TRPA1 3797/4885ATM 3872/4885
US-20120295973-A1 METHODS AND COMPOSITIONS OF DERIVATIVES OF PROBUCOL FOR THE TREATMENT OF DIABETES PNLIP, SLC5A2, LIPC CDK2 4693/4885TRPA1 3797/4885ATM 3872/4885

“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.