SCHEMBL24177988

SCHEMBL24177988

COc1nccc2c(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)C[C@H]3CCC(C)C)cccc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 2/20 0.41
▸ MMP1 P03956 2/20 0.41
▸ MMP9 P14780 2/20 0.41
▸ HTR6 P50406 3/20 0.38
▸ ADAM17 P78536 1/20 0.38
▸ BCHE P06276 2/20 0.36
▸ ALOX5AP P20292 3/20 0.35
▸ FEN1 P39748 3/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP7 P09237 1/20 0.35
▸ APLNR P35414 3/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ USP30 Q70CQ3 1/20 0.34
▸ ACHE P22303 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL23795385 1.00 MMP13 (0.41) MMP13MMP1MMP9HTR6ADAM17
SCHEMBL30439175 0.90 MMP13 (0.43) MMP13MMP1MMP9HTR6ADAM17
SCHEMBL23795403 0.90 MMP13 (0.43) MMP13MMP1MMP9HTR6ADAM17
SCHEMBL24178165 0.90 MMP13 (0.43) MMP13MMP1MMP9HTR6ADAM17
SCHEMBL23795420 0.86 MMP13 (0.45) MMP13MMP1MMP9HTR6ADAM17
SCHEMBL23810437 0.86 MMP13 (0.45) MMP13MMP1MMP9HTR6ADAM17
SCHEMBL30439149 0.85 MMP1 (0.45) MMP13MMP1MMP9HTR6ADAM17
SCHEMBL24177901 0.81 HTR6 (0.39) MMP13MMP1MMP9HTR6ADAM17
SCHEMBL23795379 0.81 HTR6 (0.39) MMP13MMP1MMP9HTR6ADAM17
SCHEMBL23795358 0.80 ROCK1 (0.41) HTR6

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-20220002265-A1 RHO KINASE INHIBITOR, METHOD FOR PREPARING SAME AND USES THEREOF BEIJING INCREASE INNOVATIVE DRUG CO., LTD (CN) 2022-01-06 — — 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-20220002265-A1 RHO KINASE INHIBITOR, METHOD FOR PREPARING SAME AND USES THEREOF ROCK1, RHOA, ROCK2 MMP13 269/4885MMP1 218/4885MMP9 70/4885

“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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