SCHEMBL3611955

SCHEMBL3611955

CC#Cc1cccc2c1C(C)(C(=O)OCC)CO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.36
ALDH1A1 P00352 7/20 0.36
MAPT P10636 6/20 0.36
GLA P06280 2/20 0.36
CTDSP1 Q9GZU7 2/20 0.34
GAA P10253 5/20 0.34
KDM4E B2RXH2 4/20 0.34
RECQL P46063 4/20 0.34
GRM1 Q13255 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
MGAM O43451 1/20 0.34
AMY1A P0DUB6 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL3621009 0.87 CTDSP1 (0.35) ATMALDH1A1MAPTGLACTDSP1
SCHEMBL1991148 0.72 ALDH1A1 (0.47) ATMALDH1A1MAPTGLACTDSP1
SCHEMBL3621196 0.72 CYP2D6 (0.32) CYP2C19
SCHEMBL3603114 0.67 NPC1 (0.35) ALDH1A1GAAKDM4EKMT2AHSD17B10
SCHEMBL1984035 0.65 BRD4 (0.56) ATMALDH1A1MAPTGLACTDSP1
SCHEMBL12737809 0.65 ALDH1A1 (0.42) ALDH1A1MAPTGLACTDSP1GAA
SCHEMBL18151325 0.63 ATM (0.41) ATMALDH1A1MAPTGLACTDSP1
SCHEMBL21391737 0.62 NR1H4 (0.36) ATMALDH1A1MAPTGLACTDSP1
SCHEMBL3610033 0.61 RAB9A (0.65) ATMALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL12919612 0.61 ATM (0.46) ATMALDH1A1MAPTKDM4ETSHR

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 6 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

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 ATM 4795/4885ALDH1A1 634/4885MAPT 4416/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC ATM 4795/4885ALDH1A1 634/4885MAPT 4416/4885

“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.