SCHEMBL585937

SCHEMBL585937

CC(C)(C(c1ccccn1)c1cc2ccccc2[nH]1)S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.40
▸ ALOX5 P09917 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ CDK5 Q00535 2/20 0.34
▸ CDK5R1 Q15078 2/20 0.34
▸ ITK Q08881 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.33
▸ GSK3B P49841 1/20 0.33

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
SCHEMBL586564 0.79 CYP19A1 (0.40) CA2ALOX5KDM4EMAPTALDH1A1
SCHEMBL18590955 0.76 GCK (0.46) DAO
SCHEMBL18590949 0.74 DAO (0.40) KDM4EMAPTALDH1A1DAO
SCHEMBL10722048 0.68 CA2 (0.53) CA2ALOX5KDM4EMAPTALDH1A1
SCHEMBL23335635 0.65 ALOX5 (0.42) ALOX5KDM4EMAPTALDH1A1HPGD
SCHEMBL12142306 0.62 SLC6A2 (0.48) KDM4EMAPTALDH1A1MEN1USP2
SCHEMBL5320663 0.62 ALOX5 (0.49) CA2ALOX5KDM4EMAPTALDH1A1
SCHEMBL243889 0.62 ALOX5 (0.46) CA2ALOX5KDM4EMAPTALDH1A1
SCHEMBL3663172 0.62 ALOX5 (0.55) CA2ALOX5KDM4EMAPTALDH1A1
SCHEMBL3229357 0.62 ALOX5 (0.55) CA2ALOX5KDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 — — US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 — — US disclosed
EP-2417122-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 — — EP disclosed
WO-2010117932-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 — — 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 (1 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-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS CA2 3559/4885ALOX5 1054/4885KDM4E 886/4885

“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.

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