SCHEMBL2122228

SCHEMBL2122228

CCn1ccc(S(=O)(=O)Nc2cc(-c3ccc(C#N)cc3)ccc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 4/20 0.48
▸ HSD11B1 P28845 8/20 0.48
▸ PTGES2 Q9H7Z7 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.43
▸ MAPT P10636 2/20 0.41
▸ BRPF1 P55201 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ BRD4 O60885 1/20 0.39

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
SCHEMBL2118028 0.88 MAPT (0.42) ACLYHSD11B1RXFP1MAPTALDH1A1
SCHEMBL2117319 0.86 ACLY (0.50) ACLYHSD11B1PTGES2RXFP1MAPT
SCHEMBL2117692 0.81 MAPT (0.41) MAPTALDH1A1
SCHEMBL2119785 0.78 ACLY (0.59) ACLYHSD11B1PTGES2DRD2HTR2A
SCHEMBL2118075 0.78 CYP3A4 (0.43) MAPT
SCHEMBL2121533 0.76 MEN1 (0.45) MAPTALDH1A1
SCHEMBL2120254 0.76 ACLY (0.51) ACLYHSD11B1PTGES2RXFP1
SCHEMBL2117688 0.76 ACLY (0.51) ACLYHSD11B1PTGES2RXFP1DRD2
SCHEMBL2119833 0.74 MAPT (0.52) MAPTALDH1A1BRD4
SCHEMBL2119300 0.74 ACLY (0.54) ACLYHSD11B1PTGES2MAPTBRPF1

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 ACLY 1578/4885HSD11B1 3376/4885PTGES2 566/4885

“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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