SCHEMBL4065639

SCHEMBL4065639

COc1cc(Cl)cc(Cl)c1S(=O)(=O)Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.53
ERN1 O75460 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
S1PR4 O95977 1/20 0.38
HSP90AA1 P07900 1/20 0.38
G6PD P11413 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
MCL1 Q07820 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TLR9 Q9NR96 1/20 0.38

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
SCHEMBL181647 0.79 ALDH1A1 (0.43) TRPV4ERN1ALDH1A1HPGDCA1
SCHEMBL30298258 0.76 GAA (0.45) TRPV4ALDH1A1KDM4EGAAHTT
SCHEMBL196430 0.74 TRPV4 (0.65) TRPV4ERN1ALDH1A1KDM4EGAA
SCHEMBL5835828 0.74 TRPV4 (0.42) TRPV4ALDH1A1KDM4EGAARAB9A
SCHEMBL788180 0.74 RAPGEF4 (0.38) ALDH1A1KDM4EGAAMAPTHTT
SCHEMBL2496728 0.74 CYP1A2 (0.47) TRPV4ERN1ALDH1A1KDM4EMAPT
SCHEMBL4469024 0.74 ALDH1A1 (0.42) TRPV4ALDH1A1KDM4EGAARAB9A
SCHEMBL28340937 0.74 ACHE (0.48) TRPV4ERN1ALDH1A1KDM4EGAA
SCHEMBL24457848 0.73 TRPV4 (0.62) TRPV4ERN1ALDH1A1KDM4EGAA
SCHEMBL31650151 0.73 TRPV4 (0.44) TRPV4KDM4ERAB9AMAPTS1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635711-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER-INGELHEIM PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-7635711-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER-INGELHEIM PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
US-7635711-B2 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER-INGELHEIM PHARMACEUTICALS, INC. (US) 2009-12-22 US disclosed
EP-1836166-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2009-06-17 EP disclosed
US-7538111-B2 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2009-05-26 US disclosed
EP-1836166-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-09-26 EP disclosed
US-20060189646-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-08-24 US disclosed
US-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LABORATOIRES FOURNIER S.A. (FR) 2006-08-10 US disclosed
WO-2006071609-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-06 WO disclosed
EP-0511826-B1 Phosphosulfonate herbicides ROHM & HAAS (US) 1997-07-16 EP disclosed
US-5500405-A Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1996-03-19 US disclosed
US-5272128-A Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1993-12-21 US disclosed
EP-0511826-A2 Phosphosulfonate herbicides ROHM AND HAAS COMPANY (US) 1992-11-04 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 (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-20060178360-A1 Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain LTB4R2, BDKRB2, TBXA2R TRPV4 113/4885ERN1 4188/4885ALDH1A1 283/4885
US-20060189646-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R TRPV4 1353/4885ERN1 1595/4885ALDH1A1 4020/4885

“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.