SCHEMBL6774604

SCHEMBL6774604

COc1ccc(-c2ccc(S(=O)(=O)NC3CC(C)(CSc4nccn4C)OC3=O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
POLB P06746 4/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP2 P08253 2/20 0.35
MMP9 P14780 1/20 0.35
MAPT P10636 1/20 0.35
PLCG2 P16885 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NAAA Q02083 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
CHRM5 P08912 3/20 0.34
CHRM1 P11229 1/20 0.34
CCR9 P51686 1/20 0.34
PKM P14618 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
SCHEMBL6733081 0.68 MMP13 (0.54) NPC1RAB9AMMP2MMP9MMP1
SCHEMBL6771334 0.67 MMP2 (0.48) NPC1RAB9AMMP2MMP9MMP1
SCHEMBL6732327 0.66 MMP13 (0.51) NPC1RAB9AMMP2MMP9MMP1
SCHEMBL6772059 0.65 MMP2 (0.46) NPC1RAB9AMMP2MMP9MMP1
SCHEMBL6773324 0.62 HSD11B1 (0.39) POLBHTTMMP2MMP9ALDH1A1
SCHEMBL6732440 0.62 MMP13 (0.53) MMP2MMP9MMP1MMP3MMP13
SCHEMBL6772307 0.62 ALDH1A1 (0.39) POLBMMP2MMP9ALDH1A1NAAA
SCHEMBL6768634 0.61 CA12 (0.43) POLBMMP2MMP9MAPTALDH1A1
SCHEMBL6738950 0.59 MMP13 (0.57) MMP2MMP9MMP1MMP3MMP13
SCHEMBL8436646 0.59 HTT (0.54) POLBHTTMMP2MMP9MAPT

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-6762198-B2 SUCH AS 2-((4'-METHOXY-(1,1'-BIPHENYL)-4-YL)-SULFONYL)-AMINO-3-(2-PHENOXYMETHYL -(1,3)DIOXAN-2-YL)PROPIONIC ACID THE PROCTER & GAMBLE COMPANY 2004-07-13 US disclosed
US-20030225074-A1 Dihetero-substituted metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-12-04 US disclosed
US-6566381-B1 For therapy of arthritis, cancer, cardiovascular disorder, skin disorder, ocular disorder, inflammation and gum disease THE PROCTER & GAMBLE COMPANY 2003-05-20 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 (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-20030225074-A1 Dihetero-substituted metalloprotease inhibitors ADAM9, ADAM17, ADAM8 NPC1 3513/4885RAB9A 729/4885POLB 1290/4885

“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.