SCHEMBL3612583

SCHEMBL3612583

O=C(O)c1nc2ccccc2o1.[NaH]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.54
CES1 P23141 2/20 0.54
DAGLA Q9Y4D2 1/20 0.54
XDH P47989 5/20 0.52
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
GAA P10253 1/20 0.47
NR4A2 P43354 1/20 0.47
GLO1 Q04760 1/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 0.46

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
SCHEMBL1590095 0.98 FAAH (0.55) FAAHCES1DAGLAXDHKDM4E
Hydrochloric Acid SCHEMBL23320558 0.96 FAAH (0.54) FAAHCES1DAGLAXDHKDM4E
SCHEMBL9098647 0.88 XDH (0.50) FAAHCES1DAGLAXDHKDM4E
SCHEMBL17951858 0.86 FAAH (0.54) FAAHCES1DAGLAXDHKDM4E
SCHEMBL5355510 0.82 FAAH (0.51) FAAHCES1DAGLAXDHKDM4E
SCHEMBL28392998 0.82 XDH (0.51) FAAHCES1DAGLAXDHKDM4E
SCHEMBL27909818 0.81 SCD (0.57) FAAHCES1DAGLAXDHKDM4E
SCHEMBL6630546 0.81 FAAH (0.50) FAAHCES1DAGLAXDHKDM4E
SCHEMBL10336551 0.81 FAAH (0.50) FAAHCES1DAGLAXDHKDM4E
SCHEMBL1490560 0.81 FAAH (0.50) FAAHCES1DAGLAXDHKDM4E

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 FAAH 199/4885CES1 94/4885DAGLA 1283/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC FAAH 199/4885CES1 94/4885DAGLA 1283/4885

“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.