SCHEMBL3598574

SCHEMBL3598574

Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-c2ccc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
GAA P10253 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
ALDH1A1 P00352 5/20 0.63
MAPT P10636 2/20 0.63
GPBAR1 Q8TDU6 1/20 0.61
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HTT P42858 1/20 0.60
PKM P14618 1/20 0.60
TDP1 Q9NUW8 1/20 0.59
USP2 O75604 1/20 0.59
POLB P06746 1/20 0.59
PTGS2 P35354 1/20 0.58
GHSR Q92847 1/20 0.56
MMP2 P08253 5/20 0.55
MMP13 P45452 3/20 0.55
KDM4E B2RXH2 1/20 0.54
MMP9 P14780 1/20 0.54

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
SCHEMBL3607816 0.89 ALDH1A1 (0.76) LMNAGAAALDH1A1MMP2MMP13
SCHEMBL15113157 0.75 ALDH1A1 (1.00) LMNAGAASMN1; SMN2ALDH1A1MAPT
SCHEMBL3084071 0.74 ADAMTS4 (0.65) MMP2MMP13MMP9
SCHEMBL3609617 0.73 MMP2 (0.66) MMP2MMP13MMP9
SCHEMBL3609610 0.73 MMP2 (0.66) MMP2MMP13MMP9
SCHEMBL3091604 0.73 MMP2 (0.77) MMP2MMP13MMP9
SCHEMBL5158195 0.72 GHSR (1.00) LMNAALDH1A1MAPTGPBAR1MEN1
SCHEMBL7667857 0.72 MMP2 (1.00) MMP2MMP13MMP9
SCHEMBL6424211 0.72 MMP2 (1.00) MMP2MMP13MMP9
SCHEMBL13314523 0.72 MMP2 (0.63) SMN1; SMN2PKMMMP2MMP13MMP9

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
EP-1692124-B1 BIARYL SULFONAMIDES AS MMP INHIBITORS WYETH CORP (US) 2008-10-15 EP claimed
US-20050143422-A1 Biaryl sulfonamides and methods for using same WYETH (US) 2005-06-30 US claimed
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
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 LMNA 2547/4885GAA 161/4885SMN1; SMN2 3220/4885
US-20050143422-A1 Biaryl sulfonamides and methods for using same STS, MMP3, AADAC LMNA 2547/4885GAA 161/4885SMN1; SMN2 3220/4885

“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.