SCHEMBL7122205

SCHEMBL7122205

COCCOCCN([C@@H](C(=O)NO)c1ccccc1)S(=O)(=O)Cc1ccc2sccc2c1.COCCOCCN([C@@H](C(=O)O)c1ccccc1)S(=O)(=O)Cc1ccc2sccc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.40
MMP2 P08253 1/20 0.40
SIGMAR1 Q99720 2/20 0.33
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
ADAM17 P78536 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
BMP1 P13497 2/20 0.32
RORC P51449 1/20 0.32
MAPK8 P45983 2/20 0.31
MAPK10 P53779 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRB3 P13945 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CTNNB1 P35222 1/20 0.30
WNT3A P56704 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL7126425 0.98 MMP13 (0.42) MMP13MMP2SIGMAR1MMP1MMP9
SCHEMBL7126419 0.98 MMP13 (0.42) MMP13MMP2SIGMAR1MMP1MMP9
SCHEMBL7545570 0.94 SIGMAR1 (0.35) MMP13MMP2SIGMAR1ALDH1A1L3MBTL1
SCHEMBL7123700 0.85 MMP13 (0.41) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL7123704 0.85 MMP13 (0.41) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL7123706 0.85 MMP13 (0.41) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL7156507 0.84 MMP13 (0.45) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL7156503 0.84 MMP13 (0.45) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL7156500 0.84 MMP13 (0.45) MMP13MMP2MMP1MMP9ADAM17
SCHEMBL7156197 0.81 MMP13 (0.41) MMP13MMP2SIGMAR1MMP9BMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030134880-A1 Novel cd23 inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-17 US disclosed
EP-1265855-A1 NOVEL CD23 INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2002-12-18 EP disclosed
WO-2001062715-A1 NOVEL CD23 INHIBITORS SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-30 WO 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 (1 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-20030134880-A1 Novel cd23 inhibitors CD2, CD22, CD40 MMP13 335/4885MMP2 1392/4885SIGMAR1 1219/4885

“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.