SCHEMBL2119623

SCHEMBL2119623

COc1cc(S(=O)(=O)Nc2cc(-c3cnco3)ccc2C)sc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 4/20 0.45
▸ MAPT P10636 2/20 0.41
▸ EDNRA P25101 1/20 0.40
▸ PFKFB3 Q16875 1/20 0.39
▸ PFKFB4 Q16877 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ PSEN1 P49768 1/20 0.39
▸ PSEN2 P49810 1/20 0.39
▸ APH1B Q8WW43 1/20 0.39
▸ NCSTN Q92542 1/20 0.39
▸ APH1A Q96BI3 1/20 0.39
▸ PSENEN Q9NZ42 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.38

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
SCHEMBL2119314 0.81 TP53 (0.45) GHSRMAPTEDNRAPFKFB3PFKFB4
SCHEMBL2117577 0.78 MAPT (0.45) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL2118650 0.78 KDM4E (0.55) MAPTEDNRAKMT2AMEN1NPC1
SCHEMBL2119329 0.78 GHSR (0.45) GHSRMAPTKMT2AMEN1KDM4E
SCHEMBL2118158 0.77 ACLY (0.55) —
SCHEMBL2119861 0.76 EDNRA (0.39) GHSRMAPTEDNRAKMT2AMEN1
SCHEMBL2118517 0.76 CYP3A4 (0.44) GHSRMAPTEDNRAPFKFB3KMT2A
SCHEMBL2117509 0.75 ACLY (0.42) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL2119877 0.75 EDNRA (0.40) GHSREDNRAPFKFB3PFKFB4KMT2A
SCHEMBL2121588 0.74 CYP3A4 (0.46) GHSREDNRAPFKFB3PFKFB4KMT2A

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-20120095012-A1 TOLUIDINE SULFONAMIDES AND THEIR USE ELARA PHARMACEUTICALS GMBH (DE) 2012-04-19 — — US disclosed
EP-2382190-A1 TOLUIDINE SULFONAMIDES AND THEIR USE AS-INHIBITORS European Molecular Biology Laboratory (EMBL) (DE) 2011-11-02 — — EP 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-20120095012-A1 TOLUIDINE SULFONAMIDES AND THEIR USE HIF1A, HIF1AN, EGLN3 GHSR 1390/4885MAPT 4747/4885EDNRA 180/4885

“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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