SCHEMBL2118198

SCHEMBL2118198

COc1cc(S(=O)(=O)Nc2cc(-c3ccc(C)o3)ccc2C)cnn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 5/20 0.42
▸ POLB P06746 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ P2RX7 Q99572 3/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ TP53 P04637 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PAX8 Q06710 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
SCHEMBL2118517 0.85 CYP3A4 (0.44) GHSRPOLBRAB9AMAPTCYP2C9
SCHEMBL2121465 0.85 SCN9A (0.46) GHSRPOLBRAB9AP2RX7SCN9A
SCHEMBL2119780 0.85 KIT (0.45) GHSRPOLBRAB9AP2RX7SCN9A
SCHEMBL2116901 0.84 TRIM24 (0.49) GHSRPOLBRAB9AMAPTCYP2C9
SCHEMBL2119972 0.83 MAPT (0.42) GHSRPOLBRAB9AP2RX7SCN9A
SCHEMBL2119299 0.79 P2RX7 (0.43) GHSRP2RX7SCN9AMAPTALDH1A1
SCHEMBL2121515 0.79 GHSR (0.43) GHSRPOLBRAB9AP2RX7SCN9A
SCHEMBL2121415 0.79 ACLY (0.54) BRD4
SCHEMBL2121407 0.79 GHSR (0.42) GHSRPOLBMAPTCYP2C9ALDH1A1
SCHEMBL2121604 0.78 POLB (0.45) GHSRPOLBRAB9ASCN9AMAPT

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 1390/4885POLB 1880/4885RAB9A 3898/4885

“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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