SCHEMBL10325403

SCHEMBL10325403

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.44
▸ CYP19A1 P11511 2/20 0.43
▸ MAP2K1 Q02750 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ CA2 P00918 2/20 0.40
▸ IDO1 P14902 2/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ IMPDH2 P12268 2/20 0.39
▸ SLC22A12 Q96S37 1/20 0.37
▸ PADI4 Q9UM07 1/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL586772 0.82 AHR (0.41) AHRCYP19A1MAP2K1CNR1CA2
SCHEMBL5716711 0.74 AHR (0.48) AHRCYP19A1MAP2K1CNR1IDO1
SCHEMBL586564 0.71 CYP19A1 (0.40) CYP19A1MAP2K1CNR1CA2IDO1
Nicotinaldehyde SCHEMBL7150684 0.68 PADI4 (0.41) AHRCYP19A1MAP2K1CNR1IDO1
SCHEMBL399327 0.65 AHR (0.50) AHRCA2KDM4EHSD17B10HPGD
SCHEMBL30435112 0.65 AHR (0.50) AHRCA2KDM4EHSD17B10HPGD
SCHEMBL1685392 0.65 AHR (0.50) AHRCA2KDM4EHSD17B10HPGD
SCHEMBL586565 0.65 KDM4E (0.43) CYP19A1MAP2K1CNR1CA2IDO1
SCHEMBL9959034 0.65 CYP19A1 (0.45) CYP19A1CA2CA12CA1CA9
SCHEMBL10325726 0.64 CYP19A1 (0.41) CYP19A1MAP2K1CNR1CA2IDO1

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 2 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

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 AHR 474/4885CYP19A1 3368/4885MAP2K1 3939/4885

“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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