SCHEMBL3701877

SCHEMBL3701877

O=S(=O)(O)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
TRPV4 Q9HBA0 1/20 0.52
KCNH2 Q12809 3/20 0.44
MAP4K4 O95819 1/20 0.44
PIK3CA P42336 1/20 0.44
MINK1 Q8N4C8 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
SLC40A1 Q9NP59 2/20 0.43
CYP2C9 P11712 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
SLC22A11 Q9NSA0 1/20 0.43
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
NT5E P21589 1/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40

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
SCHEMBL5077872 0.98 KDM4E (0.55) KDM4ETRPV4KCNH2MAP4K4PIK3CA
Hydrochloric Acid SCHEMBL27930121 0.98 KDM4E (0.55) KDM4ETRPV4KCNH2MAP4K4PIK3CA
SCHEMBL30845950 0.79 TRPV4 (0.52) KDM4ETRPV4KCNH2MAP4K4PIK3CA
SCHEMBL18231250 0.79 KCNH2 (0.55) TRPV4KCNH2MAP4K4PIK3CAMINK1
SCHEMBL7825110 0.79 KDM4E (0.57) KDM4ENAPRTLMNAALDH1A1TSHR
SCHEMBL244098 0.79 TRPV4 (0.52) TRPV4KCNH2MAP4K4PIK3CAMINK1
SCHEMBL2169084 0.79 TRPV4 (0.52) KDM4ETRPV4KCNH2MAP4K4PIK3CA
SCHEMBL5077871 0.79 TRPV4 (0.52) KDM4ETRPV4KCNH2MAP4K4PIK3CA
SCHEMBL29948975 0.79 TRPV4 (0.52) TRPV4KCNH2MAP4K4PIK3CAMINK1
SCHEMBL8438731 0.78 KDM4E (0.65) KDM4ENAPRTLMNAALDH1A1TSHR

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
CN-103492028-B Sulfonaminoquinoline hepcidin antagonists 维福(国际)股份公司 2017-02-08 CN disclosed
EP-2675526-B1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2017-02-01 EP disclosed
US-9102688-B2 Sulfonaminoquinoline hepcidin antagonists VIFOR (INTERNATIONAL) AG (CH) 2015-08-11 US disclosed
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2014-12-11 US disclosed
CN-103492028-A Novel sulfonaminoquinoline hepcidin antagonists VIFOR INT AG 2014-01-01 CN disclosed
EP-2675526-A1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS Vifor (International) AG (CH) 2013-12-25 EP disclosed
WO-2012110603-A1 NOVEL SULFONAMINOQUINOLINE HEPCIDIN ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 WO disclosed
US-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-23 US disclosed
EP-2471363-A1 Use of aryl-, heteroaryl- and benzylsulfonamide carboxylic acids, -carboxylic acid esters, -carboxylic acid amides and -carbonitriles and/or its salts for increasing stress tolerance in plants Bayer CropScience AG (DE) 2012-07-04 EP disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
EP-1497374-A1 FILLER REINFORCED POLYETHER IMIDE RESIN COMPOSITION AND MOLDED ARTICLE THEREOF GENERAL ELECTRIC COMPANY (US) 2005-01-19 EP disclosed
WO-2003087226-A1 FILLER REINFORCED POLYETHER IMIDE RESIN COMPOSITION AND MOLDED ARTICLE THEREOF GENERAL ELECTRIC COMPAMY (US) 2003-10-23 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 (3 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-20120214803-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 KDM4E 4215/4885TRPV4 1589/4885KCNH2 4218/4885
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF KDM4E 2383/4885TRPV4 1139/4885KCNH2 1436/4885
US-20140364424-A1 Novel Sulfonaminoquinoline Hepcidin Antagonists HAMP, SLC40A1, FTH1 KDM4E 4215/4885TRPV4 1589/4885KCNH2 4218/4885

“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.