SCHEMBL2118517

SCHEMBL2118517

COc1cc(S(=O)(=O)Nc2cc(-c3cnco3)ccc2C)cnn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
POLB P06746 3/20 0.44
KMT2A Q03164 1/20 0.44
GHSR Q92847 2/20 0.43
EDNRA P25101 2/20 0.41
CCR9 P51686 5/20 0.40
PFKFB3 Q16875 1/20 0.39
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL2116901 0.86 TRIM24 (0.49) CYP3A4POLBGHSRRAB9AMAPT
SCHEMBL2118198 0.85 GHSR (0.42) POLBGHSRRAB9AMAPTLMNA
SCHEMBL2119877 0.80 EDNRA (0.40) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL2121588 0.79 CYP3A4 (0.46) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL2119257 0.79 POLB (0.48) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL2118685 0.79 POLB (0.57) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL2120014 0.79 POLB (0.51) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL2121436 0.79 POLB (0.51) CYP3A4CYP2D6PSEN1PSEN2APH1B
SCHEMBL2121415 0.79 ACLY (0.54) MTORPIK3CG
SCHEMBL2121407 0.79 GHSR (0.42) POLBKMT2AGHSRMAPTALDH1A1

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 CYP3A4 1975/4885CYP2D6 2336/4885PSEN1 1682/4885

“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.