SCHEMBL6733702

SCHEMBL6733702

COC(=O)[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@H](OCc1ccc(C)cc1)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
POLB P06746 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C9 P11712 2/20 0.38
ADAMTS4 O75173 2/20 0.36
MMP2 P08253 6/20 0.36
MMP13 P45452 5/20 0.36
MMP9 P14780 5/20 0.36
MMP1 P03956 4/20 0.36
MMP3 P08254 4/20 0.36
MMP7 P09237 4/20 0.36
MMP14 P50281 2/20 0.36
PKM P14618 1/20 0.36
MAPK10 P53779 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADAM17 P78536 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL6738316 0.89 ADAMTS4 (0.51) EGFRADAMTS4MMP2MMP13MMP9
SCHEMBL6732124 0.87 MMP2 (0.43) ALDH1A1ADAMTS4MMP2MMP13MMP9
SCHEMBL7389687 0.87 MMP2 (0.43) ALDH1A1ADAMTS4MMP2MMP13MMP9
SCHEMBL6737939 0.85 EGFR (0.40) EGFRERBB2POLBMEN1KMT2A
SCHEMBL6737940 0.85 EGFR (0.40) EGFRERBB2POLBMEN1KMT2A
SCHEMBL6733656 0.82 ADAMTS4 (0.58) ADAMTS4MMP2MMP13MMP9MMP1
SCHEMBL6733010 0.79 MMP2 (0.50) ADAMTS4MMP2MMP13MMP9MMP1
SCHEMBL6742787 0.68 ALDH1A1 (0.38) MEN1KMT2AALDH1A1CYP2C9NPSR1
SCHEMBL6773478 0.68 CTSL (0.46) MEN1KMT2AALDH1A1ADAMTS4MMP2
SCHEMBL690202 0.68 MMP2 (0.68) ADAMTS4MMP2MMP13MMP9MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142975-A1 Beta disubstituted metalloprotease inhibitors THE PROCTER &GAMBLE COMPANY 2004-07-22 US disclosed
US-6696456-B1 CARBOCYCLIC ACIDS AND SALTS SUCH AS (2S,3R)-3-ETHYLSULFANYL-2-(4'-FLUORO-BIPHENYL-4-SULFONYLAMINO)-3- PHENYLPROPIONIC ACID, USED AS METALLOENZYME ANTAGONISTS FOR THE PROPHYLAXIS OF DEGENERATIVE JOINT DISEASE AND AS WOUND HEALING AGENTS THE PROCTER & GAMBLE COMPANY 2004-02-24 US disclosed
EP-1224171-A1 BETA DISUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-07-24 EP disclosed
WO-2001027084-A1 BETA DISUBSTITUTED METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2001-04-19 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-20040142975-A1 Beta disubstituted metalloprotease inhibitors ADAM17, ADAM9, SI EGFR 1593/4885ERBB2 3395/4885POLB 899/4885

“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.