SCHEMBL5633562

SCHEMBL5633562

CC(C)CN(C(Cc1ccccc1)[C@H](O)CNC(=O)[C@@H](C)CS(=O)(=O)N1CCCCC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MMP3 P08254 4/20 0.38
▸ MMP13 P45452 4/20 0.38
▸ MMP2 P08253 4/20 0.38
▸ MMP9 P14780 4/20 0.38
▸ BACE1 P56817 3/20 0.36
▸ MMP1 P03956 2/20 0.36
▸ RORC P51449 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ REN P00797 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL5634852 0.93 MMP2 (0.43) MMP3MMP13MMP2MMP9BACE1
SCHEMBL5633872 0.92 RORC (0.39) MMP3MMP13MMP2MMP9BACE1
SCHEMBL5634518 0.89 BACE1 (0.42) MMP13MMP2BACE1ALDH1A1KMT2A
SCHEMBL5633526 0.88 BACE1 (0.43) MMP13MMP2BACE1ALDH1A1KMT2A
SCHEMBL5633547 0.86 MMP2 (0.42) MMP3MMP13MMP2MMP9
SCHEMBL7243370 0.82 BACE1 (0.42) MMP13MMP2BACE1ALDH1A1KMT2A
SCHEMBL5633798 0.82 BACE1 (0.42) MMP13MMP2BACE1KMT2A
SCHEMBL5634147 0.81 BACE1 (0.41) MMP13MMP2BACE1KMT2A
SCHEMBL6261536 0.81 BMP1 (0.45) BACE1ALDH1A1KMT2ATSHRHTT
SCHEMBL6262004 0.79 MLNR (0.49) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297793-B2 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE, LLC (US) 2007-11-20 — — US claimed
US-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors G.D. SEARLE & CO. (US) 2006-09-07 — — US claimed

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-20060199822-A1 Bis-sulfonamide hydroxyethylamino retroviral protease inhibitors PRSS1, DNPEP, PREP MMP3 111/4885MMP13 490/4885MMP2 233/4885

“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.

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