SCHEMBL22066283

SCHEMBL22066283

O=c1[nH]c(SCc2ccc(-c3ccccc3)cc2)nc2c1CCC2

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 6/20 0.74
▸ HPGD P15428 6/20 0.74
▸ LMNA P02545 3/20 0.74
▸ CYP1A2 P05177 2/20 0.74
▸ CYP2C9 P11712 2/20 0.74
▸ CYP2C19 P33261 2/20 0.74
▸ MAPT P10636 4/20 0.72
▸ TP53 P04637 3/20 0.67
▸ MMP1 P03956 1/20 0.65
▸ COL2A1 P02458 1/20 0.65
▸ MMP2 P08253 1/20 0.65
▸ MMP8 P22894 1/20 0.65
▸ MMP12 P39900 1/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ SPR P35270 1/20 0.65
▸ TSHR P16473 1/20 0.65

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
SCHEMBL5190083 0.92 MAPT (0.79) MMP13HPGDLMNACYP1A2CYP2C9
SCHEMBL22066297 0.86 MMP13 (0.72) MMP13HPGDLMNACYP1A2CYP2C9
SCHEMBL3583066 0.85 MAPT (0.97) MMP13HPGDLMNACYP1A2CYP2C9
SCHEMBL3536006 0.84 MAPT (1.00) MMP13HPGDLMNACYP1A2CYP2C9
SCHEMBL22066277 0.82 MMP13 (0.67) MMP13HPGDLMNACYP1A2CYP2C9
SCHEMBL22066305 0.81 MMP13 (1.00) MMP13MMP1COL2A1MMP2MMP8
SCHEMBL4381941 0.80 MAPT (0.74) MMP13HPGDLMNACYP1A2CYP2C9
SCHEMBL22066306 0.79 MMP13 (1.00) MMP13MMP1COL2A1MMP2MMP8
SCHEMBL22066290 0.79 MMP13 (1.00) MMP13MMP1COL2A1MMP2MMP8
SCHEMBL22066285 0.79 MMP13 (0.81) MMP13MMP1COL2A1MMP2MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200181095-A1 SELECTIVE MATRIX METALLOPROTEINASE-13 INHIBITORS FLORIDA ATLANTIC UNIVERSITY BOARD OF TRUSTEES (US) 2020-06-11 — — 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-20200181095-A1 SELECTIVE MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP17, MMP16 MMP13 1/4885HPGD 283/4885LMNA 2719/4885

“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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