SCHEMBL17843838

SCHEMBL17843838

Cc1cc(C)c(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 7/20 0.56
▸ DNMT1 P26358 1/20 0.54
▸ DNMT3A Q9Y6K1 1/20 0.54
▸ SLC25A1 P53007 1/20 0.54
▸ CCR2 P41597 3/20 0.50
▸ LMNA P02545 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ SLC10A2 Q12908 1/20 0.49
▸ SLC10A1 Q14973 1/20 0.49
▸ SLC10A6 Q3KNW5 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ MAPT P10636 3/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ THRB P10828 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ POLB P06746 1/20 0.44

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
SCHEMBL17843852 0.81 VCAM1 (0.60) VCAM1DNMT1DNMT3ASLC25A1CCR2
SCHEMBL11749307 0.80 SLC25A1 (0.68) VCAM1DNMT1DNMT3ASLC25A1CCR2
SCHEMBL17843843 0.78 DNMT1 (0.56) VCAM1DNMT1DNMT3ASLC25A1CCR2
SCHEMBL1250772 0.75 VCAM1 (0.62) VCAM1DNMT1DNMT3ASLC25A1LMNA
SCHEMBL8113261 0.75 MAPT (0.62) VCAM1DNMT1DNMT3ASLC25A1CCR2
SCHEMBL7595588 0.74 CCR2 (0.65) VCAM1DNMT1DNMT3ASLC25A1CCR2
SCHEMBL686821 0.73 VCAM1 (1.00) VCAM1DNMT1DNMT3ASLC25A1LMNA
SCHEMBL11137623 0.73 CCR2 (0.61) VCAM1DNMT1DNMT3ASLC25A1CCR2
SCHEMBL10657289 0.73 ALDH1A1 (0.71) VCAM1DNMT1DNMT3ASLC25A1CCR2
SCHEMBL3611184 0.72 ALDH1A1 (0.80) VCAM1DNMT1DNMT3ASLC25A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107257791-B Benzimidazole sulfonamide derivatives as inverse agonists of the retinoid-related orphan receptor gamma ROR gamma (t) 盖尔德马研究及发展公司 2021-06-11 — — CN disclosed
US-10618890-B2 Benzimidazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR gamma (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2020-04-14 — — US disclosed
US-20190071433-A1 BENZIMIDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-03-07 — — US disclosed
EP-3233838-B1 BENZIMIDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RES & DEV (FR) 2019-01-30 — — EP disclosed
EP-3233838-A1 BENZIMIDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) Galderma Research & Development (FR) 2017-10-25 — — EP disclosed
WO-2016097393-A1 BENZIMIDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-23 — — 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 (2 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-20190071433-A1 BENZIMIDAZOLE SULFONAMIDE DERIVATIVES AS INVERSE AGONISTS OF RETINOID-RELATED ORPHAN RECEPTOR GAMMA (ROR GAMMA (T)) RORA, RORB, RORC VCAM1 3310/4885DNMT1 4458/4885DNMT3A 4040/4885
US-10618890-B2 Benzimidazole sulfonamide derivatives as inverse agonists of retinoid-related orphan receptor gamma (ROR gamma (T)) RORA, RORB, RORC VCAM1 3310/4885DNMT1 4458/4885DNMT3A 4040/4885

“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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