SCHEMBL20647013

SCHEMBL20647013

CC(C)C(=O)c1ccc(Cl)c(S(N)(=O)=O)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 15/20 0.62
▸ CA2 P00918 15/20 0.62
▸ MMP2 P08253 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ DBH P09172 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ CA7 P43166 1/20 0.50
▸ CA13 Q8N1Q1 1/20 0.50

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
SCHEMBL11597520 0.88 CA1 (0.59) CA1CA2MMP2CA7CA13
SCHEMBL13545276 0.82 KDM4E (0.51) CA1CA2KDM4EDBHGAA
SCHEMBL7143525 0.81 CA1 (0.58) CA1CA2MMP2KDM4ECA7
SCHEMBL11598028 0.81 CA1 (0.55) CA1CA2CA7CA13
SCHEMBL20647086 0.81 KDM4E (0.50) CA1CA2KDM4EDBHGAA
SCHEMBL329732 0.80 CA1 (0.63) CA1CA2MMP2CA7CA13
SCHEMBL31670541 0.80 CA1 (0.63) CA1CA2MMP2CA7CA13
SCHEMBL940346 0.80 CA1 (0.59) CA1CA2MMP2CA7CA13
SCHEMBL31018987 0.80 CA1 (0.59) CA1CA2MMP2CA7CA13
Sulclamide SCHEMBL476258 0.80 CA1 (0.59) CA1CA2MMP2CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA1 1330/4885CA2 241/4885MMP2 2060/4885
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA CA1 1303/4885CA2 211/4885MMP2 2066/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA CA1 1303/4885CA2 211/4885MMP2 2066/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA CA1 1330/4885CA2 241/4885MMP2 2060/4885

“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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