SCHEMBL6571788

SCHEMBL6571788

O=[N+]([O-])c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.64
▸ TSHR P16473 1/20 0.60
▸ PGR P06401 1/20 0.60
▸ CA2 P00918 3/20 0.57
▸ CA12 O43570 1/20 0.57
▸ CA9 Q16790 1/20 0.57
▸ BCL2L1 Q07817 1/20 0.56
▸ MCL1 Q07820 1/20 0.56
▸ RORA P35398 1/20 0.55
▸ RORC P51449 1/20 0.55
▸ NR1H2 P55055 1/20 0.55
▸ NR1H4 Q96RI1 1/20 0.55
▸ HDAC1 Q13547 2/20 0.53
▸ CA1 P00915 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ PFKFB3 Q16875 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ KMT2A Q03164 2/20 0.50

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
SCHEMBL31110643 0.81 TSHR (0.74) TSHRPGRCA2CA9RORA
SCHEMBL812673 0.81 TSHR (0.74) TSHRPGRCA2CA9RORA
SCHEMBL7770318 0.80 TNNI3 (0.55) PKMALDH1A1MEN1MAPTKMT2A
SCHEMBL6572887 0.79 GAA (0.64) PKMTSHRPGRALDH1A1HTT
SCHEMBL10825800 0.79 CRHBP (0.65) PKMMCL1RORCALDH1A1MEN1
SCHEMBL13241573 0.79 HTR6 (0.64) CA2CA12CA9CA1ALDH1A1
SCHEMBL3261087 0.79 TSHR (0.71) TSHRPGRRORARORCNR1H2
SCHEMBL16785737 0.79 TSHR (0.67) TSHRPGRCA2CA12CA9
SCHEMBL6409546 0.79 TSHR (0.67) TSHRPGRRORARORCNR1H2
SCHEMBL9478942 0.79 TSHR (0.71) TSHRPGRRORARORCNR1H2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-12-09 — — US disclosed
EP-1414790-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-05-06 — — EP disclosed
WO-2003000653-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-01-03 — — WO 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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions NAT1, CYP3A5, CYP3A7 PKM 764/4885TSHR 3214/4885PGR 3529/4885

“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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