SCHEMBL20646802

SCHEMBL20646802

CC(C)C(=O)c1cnn2c(C3CC3)c(OCCCS(C)(=O)=O)ccc12

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 3/20 0.37
▸ MAPK9 P45984 3/20 0.37
▸ MAPK10 P53779 3/20 0.37
▸ ROCK2 O75116 16/20 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
SCHEMBL20647184 0.91 PLAT (0.38) MAPK8MAPK9MAPK10ROCK2
SCHEMBL21947360 0.89 MAPK8 (0.35) MAPK8MAPK9MAPK10ROCK2
SCHEMBL21946550 0.87 MAPK8 (0.38) MAPK8MAPK9MAPK10ROCK2
SCHEMBL19128096 0.87 SPR (0.41) MAPK8MAPK9MAPK10ROCK2
SCHEMBL20646831 0.86 ROCK2 (0.39) ROCK2
SCHEMBL23889026 0.85 ROCK2 (0.37) ROCK2
SCHEMBL20646828 0.83 ROCK2 (0.40) ROCK2
SCHEMBL17452627 0.81 ROCK2 (0.52) ROCK2
SCHEMBL23889174 0.80 ROCK2 (0.40) ROCK2
SCHEMBL17452656 0.80 ROCK2 (0.40) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 — — EP disclosed
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-10 — — US disclosed
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-04-30 — — US disclosed
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-07 — — US disclosed
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-01-17 — — 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 (4 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-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK ROCK1, MYLK, RHOA MAPK8 352/4885MAPK9 545/4885MAPK10 683/4885
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA MAPK8 362/4885MAPK9 553/4885MAPK10 746/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA MAPK8 362/4885MAPK9 553/4885MAPK10 746/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA MAPK8 352/4885MAPK9 545/4885MAPK10 683/4885

“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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