SCHEMBL24177978

SCHEMBL24177978

C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1cccc2c(O)nccc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.44
▸ MMP13 P45452 2/20 0.42
▸ MMP1 P03956 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ ROCK2 O75116 6/20 0.42
▸ ROCK1 Q13464 6/20 0.42
▸ HTR6 P50406 2/20 0.40
▸ ADAM17 P78536 1/20 0.40
▸ GPR119 Q8TDV5 4/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ SMARCA2 P51531 1/20 0.37
▸ SMARCA4 P51532 1/20 0.37
▸ PBRM1 Q86U86 1/20 0.37

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
SCHEMBL30439348 1.00 CNR1 (0.44) CNR1MMP13MMP1MMP9ROCK2
SCHEMBL23795306 1.00 CNR1 (0.44) CNR1MMP13MMP1MMP9ROCK2
SCHEMBL23810437 0.89 MMP13 (0.45) CNR1MMP13MMP1MMP9ROCK2
SCHEMBL23795420 0.89 MMP13 (0.45) CNR1MMP13MMP1MMP9ROCK2
SCHEMBL24178153 0.88 MMP13 (0.41) MMP13MMP1MMP9HTR6ADAM17
SCHEMBL23795368 0.88 MMP13 (0.41) MMP13MMP1MMP9HTR6ADAM17
SCHEMBL24177901 0.85 HTR6 (0.39) MMP13MMP1MMP9ROCK2ROCK1
SCHEMBL23795379 0.85 HTR6 (0.39) MMP13MMP1MMP9ROCK2ROCK1
SCHEMBL31399749 0.84 CHRM1 (0.49) CNR1MMP1MMP9HTR6GPR119
SCHEMBL23810413 0.84 ROCK2 (0.45) CNR1MMP13MMP1MMP9ROCK2

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 CNR1 3257/4885MMP13 269/4885MMP1 218/4885

“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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