SCHEMBL586564

SCHEMBL586564

CC(C)(C(c1cccnc1)c1cc2ccccc2[nH]1)S(N)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.40
▸ MAP2K1 Q02750 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CA2 P00918 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.37
▸ IDO1 P14902 2/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.35
▸ PADI4 Q9UM07 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA9 Q16790 1/20 0.34

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
SCHEMBL585937 0.79 CA2 (0.40) CA2KDM4EIDO1ALOX5HPGD
SCHEMBL18590955 0.79 GCK (0.46) —
SCHEMBL10325405 0.79 CYP19A1 (0.44) CYP19A1MAP2K1CNR1CA2KDM4E
SCHEMBL10325726 0.78 CYP19A1 (0.41) CYP19A1MAP2K1CNR1CA2KDM4E
SCHEMBL18590949 0.77 DAO (0.40) CNR1KDM4EALDH1A1MAPT
SCHEMBL586774 0.76 CYP19A1 (0.41) CYP19A1MAP2K1CNR1CA2KDM4E
SCHEMBL10325403 0.71 AHR (0.44) CYP19A1MAP2K1CNR1CA2KDM4E
SCHEMBL23335635 0.69 ALOX5 (0.42) KDM4EALOX5HSD17B10HPGDALDH1A1
SCHEMBL10722048 0.66 CA2 (0.53) CNR1CA2KDM4EALOX5TSHR
SCHEMBL586772 0.66 AHR (0.41) CYP19A1MAP2K1CNR1CA2KDM4E

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 CYP19A1 3368/4885MAP2K1 3939/4885CNR1 522/4885

“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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