SCHEMBL1658639

SCHEMBL1658639

Cc1c(CCl)oc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
KCNH2 Q12809 1/20 0.41
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
MAOA P21397 2/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
PGAM1 P18669 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2C9 P11712 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
SLC22A12 Q96S37 1/20 0.37
EYA3 Q99504 1/20 0.37

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
SCHEMBL2256874 0.84 KDM4E (0.46) KDM4EKCNH2CYP2C19ALDH1A1MAPT
SCHEMBL5335011 0.82 PTPN1 (0.41) KDM4EKCNH2ALDH1A1MAPTHPGD
SCHEMBL10238814 0.82 CYP2C19 (0.49) KDM4EKCNH2CYP2C19ALDH1A1MAPT
SCHEMBL13654189 0.80 KDM4E (0.42) KDM4EKCNH2CYP2C19ALDH1A1MAPT
SCHEMBL3752508 0.80 PLK1 (0.43) KDM4EKCNH2CYP2C19ALDH1A1MAPT
SCHEMBL4742417 0.80 KDM4E (0.42) KDM4EKCNH2CYP2C19ALDH1A1MAPT
SCHEMBL5383786 0.80 KDM4E (0.42) KDM4EKCNH2CYP2C19ALDH1A1MAPT
SCHEMBL15436171 0.79 KCNH2 (0.39) KDM4EKCNH2CYP2C19ALDH1A1MAPT
SCHEMBL793212 0.78 CYP2C9 (0.48) KDM4EKCNH2CYP2C19CYP2C9NPC1
SCHEMBL1252145 0.77 KCNH2 (0.43) KDM4EKCNH2ALDH1A1MAPTHPGD

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7923446-B2 3-Methyl-2-[4'-(pyridin-3-ylmethoxymethyl)-biphenyl-4-sulfonylamino]-butyric acid; metalloproteinase inhibitors; arthritis, macular degeneration, graft versus host disease, cancer, osteoarthritis WYETH LLC (US) 2011-04-12 US disclosed
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 US disclosed
EP-1689380-A4 METHOD FOR TREATING ADAMTS-5-ASSOCIATED DISEASE WYETH CORP (US) 2009-03-18 EP disclosed
US-20080311113-A1 METHOD FOR TREATING ADAMTS-5-ASSOCIATED DISEASE WYETH (US) 2008-12-18 US disclosed
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 EP disclosed
US-7420001-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2008-09-02 US disclosed
US-7390833-B2 Method for treating ADAMTS-5-associated disease WYETH (US) 2008-06-24 US disclosed
US-20070225327-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2007-09-27 US disclosed
US-7268135-B2 Biaryl sulfonamides and methods for using same WYETH (US) 2007-09-11 US disclosed
CN-1913880-A Methods of treating ADAMTS-5-associated diseases WYETH CORP (US) 2007-02-14 CN disclosed
EP-1689380-A2 METHOD FOR TREATING ADAMTS-5-ASSOCIATED DISEASE Wyeth (US) 2006-08-16 EP disclosed
US-20060004066-A1 Method for treating ADAMTS-5-associated disease WYETH (US) 2006-01-05 US disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO disclosed
WO-2005060456-A2 METHOD FOR TREATING ADAMTS-5-ASSOCIATE DISEASE WYETH (US) 2005-07-07 WO disclosed
WO-2005061459-A1 BIARYL SULFONAMIDES AND METHODS FOR USING SAME WYETH (US) 2005-07-07 WO disclosed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 US disclosed
US-20050130973-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-16 US disclosed
CN-1623537-A Biaryl sulfonamides and its using method WYETH CORP (US) 2005-06-08 CN disclosed
US-4172145-A ANALGESICS, ANTIPYRETICS KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1979-10-23 US disclosed
US-4126625-A ANTIPHLOGISTIC, ANALGESIC KYOWA HAKKO KOGYO KABUSHIKI KAISHA (JP) 1978-11-21 US 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 (6 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-20050130973-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC KDM4E 1421/4885KCNH2 3783/4885CYP2C19 1027/4885
US-20060004066-A1 Method for treating ADAMTS-5-associated disease ADAMTS5, ADAMTS1, ADAMTS4 KDM4E 2489/4885KCNH2 4355/4885CYP2C19 3141/4885
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC KDM4E 1421/4885KCNH2 3783/4885CYP2C19 1027/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC KDM4E 1421/4885KCNH2 3783/4885CYP2C19 1027/4885
US-20080311113-A1 METHOD FOR TREATING ADAMTS-5-ASSOCIATED DISEASE ADAMTS5, ADAMTS1, ADAMTS4 KDM4E 2489/4885KCNH2 4355/4885CYP2C19 3141/4885
US-20070225327-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC KDM4E 1421/4885KCNH2 3783/4885CYP2C19 1027/4885

“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.