SCHEMBL3613098

SCHEMBL3613098

O=C(O)c1nc2cc(C(F)(F)F)ccc2s1.[NaH]

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.57
ALOX5 P09917 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PPARA Q07869 1/20 0.47
AKR1B1 P15121 7/20 0.46
AGPAT2 O15120 2/20 0.46
NCS1 P62166 1/20 0.46
AKR1A1 P14550 2/20 0.44
ILK Q13418 2/20 0.44
KDM4E B2RXH2 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
AKR1B10 O60218 1/20 0.43
GLO1 Q04760 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL3642935 0.98 DYRK1A (0.58) DYRK1AALOX5MEN1KMT2APPARA
SCHEMBL3641501 0.86 PPARA (0.61) DYRK1APPARAKDM4EMAOB
Lithium Ion SCHEMBL31084584 0.84 DYRK1A (0.56) DYRK1AALOX5MEN1KMT2APPARA
SCHEMBL3613102 0.84 DYRK1A (0.56) DYRK1AALOX5MEN1KMT2APPARA
SCHEMBL8400514 0.82 DYRK1A (0.51) DYRK1AALOX5MEN1KMT2AAKR1B1
SCHEMBL17161588 0.81 DYRK1A (0.60) DYRK1AALOX5MEN1KMT2APPARA
SCHEMBL3618193 0.78 MAPT (0.54) DYRK1AALOX5MEN1KMT2AAKR1B1
SCHEMBL3642370 0.78 DYRK1A (0.55) DYRK1AAKR1B1AKR1A1MAOB
SCHEMBL3639457 0.77 PPARA (0.48) DYRK1APPARA
SCHEMBL3621185 0.76 HDAC6 (0.56) ALOX5PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same WYETH (US) 2010-06-03 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
EP-1692124-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS Wyeth (US) 2006-08-23 EP disclosed
WO-2005061477-A1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH (US) 2005-07-07 WO disclosed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 US disclosed
CN-1623537-A Biaryl sulfonamides and its using method WYETH CORP (US) 2005-06-08 CN 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-20100137298-A1 Biaryl Sulfonamides and Methods for Using Same STS, MMP3, AADAC DYRK1A 2885/4885ALOX5 1118/4885MEN1 4000/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC DYRK1A 2885/4885ALOX5 1118/4885MEN1 4000/4885

“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.