SCHEMBL5633872

SCHEMBL5633872

CC(C)CN(C(Cc1ccccc1)[C@H](O)CNC(=O)[C@@H](C)CS(=O)(=O)N1CCN(C)CC1)S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 5/20 0.39
▸ REN P00797 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.37
▸ MMP2 P08253 5/20 0.37
▸ MMP9 P14780 5/20 0.37
▸ MMP3 P08254 4/20 0.37
▸ MMP13 P45452 4/20 0.37
▸ MMP1 P03956 3/20 0.36
▸ LMNA P02545 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ ADAM10 O14672 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ ADAM17 P78536 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
SCHEMBL5633547 0.93 MMP2 (0.42) MMP2MMP9MMP3MMP13
SCHEMBL5633562 0.92 MMP3 (0.38) RORCRENMMP2MMP9MMP3
SCHEMBL5633798 0.89 BACE1 (0.42) MMP2MMP13MEN1KMT2ABACE1
SCHEMBL5634852 0.86 MMP2 (0.43) MMP2MMP9MMP3MMP13BACE1
SCHEMBL5633526 0.82 BACE1 (0.43) MMP2MMP13MEN1ALDH1A1KMT2A
SCHEMBL5634518 0.82 BACE1 (0.42) MMP2MMP13LMNAMEN1ALDH1A1
SCHEMBL6261536 0.82 BMP1 (0.45) LMNAKDM4EMEN1ALDH1A1KMT2A
SCHEMBL7243370 0.81 BACE1 (0.42) MMP2MMP13LMNAMEN1ALDH1A1
SCHEMBL5634147 0.81 BACE1 (0.41) MMP2MMP13MEN1KMT2ABACE1
SCHEMBL8186688 0.80 RORC (0.41) RORCHSD17B10

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 RORC 2944/4885REN 126/4885HSD17B10 1453/4885

“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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