Sugi Predict

Sugi Predict / Compounds / SCHEMBL567367

SCHEMBL567367

SCHEMBL567367

C[C@@H]1CN(C(=O)OC(C)(C)C)CCCCN1S(=O)(=O)c1ccc2cnccc2c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 6/20 0.45
▸ ROCK1 Q13464 6/20 0.45
▸ MMP1 P03956 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ GPR119 Q8TDV5 6/20 0.39
▸ PRKD3 O94806 2/20 0.39
▸ PRKCG P05129 2/20 0.39
▸ PRKCB P05771 2/20 0.39
▸ PRKCA P17252 2/20 0.39
▸ PRKACA P17612 2/20 0.39
▸ PRKACG P22612 2/20 0.39
▸ PRKACB P22694 2/20 0.39
▸ PRKCH P24723 2/20 0.39
▸ PRKCI P41743 2/20 0.39
▸ PRKCE Q02156 2/20 0.39
▸ PRKCQ Q04759 2/20 0.39
▸ PRKCZ Q05513 2/20 0.39
▸ PRKCD Q05655 2/20 0.39
▸ PRKD1 Q15139 2/20 0.39

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
SCHEMBL567368 1.00 ROCK2 (0.45) ROCK2ROCK1MMP1MMP9MMP13
SCHEMBL567120 0.88 ROCK2 (0.42) ROCK2ROCK1MMP1MMP9MMP13
SCHEMBL567121 0.88 ROCK2 (0.42) ROCK2ROCK1MMP1MMP9MMP13
SCHEMBL566234 0.86 ROCK2 (0.44) ROCK2ROCK1MMP1MMP9MMP13
SCHEMBL567211 0.86 ROCK2 (0.44) ROCK2ROCK1MMP1MMP9MMP13
SCHEMBL566233 0.86 ROCK2 (0.44) ROCK2ROCK1MMP1MMP9MMP13
SCHEMBL567751 0.85 GPR119 (0.43) ROCK2ROCK1MMP1MMP9MMP13
SCHEMBL567750 0.85 GPR119 (0.43) ROCK2ROCK1MMP1MMP9MMP13
SCHEMBL24178114 0.83 PRKD3 (0.56) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL23795367 0.83 PRKD3 (0.56) ROCK2ROCK1PRKD3PRKCGPRKCB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444395-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-01-06 — — EP disclosed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 — — US disclosed
US-8951997-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2015-02-10 — — US disclosed
EP-2444395-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2012-04-25 — — EP disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 — — US disclosed
US-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC (JP) 2012-02-09 — — US disclosed
WO-2010146881-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE 株式会社デ・ウエスタン・セラピテクス研究所 (JP) 2010-12-23 — — WO 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-20120035159-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT1A1, SULT1E1, SULT2A1 ROCK2 1689/4885ROCK1 1837/4885MMP1 4000/4885

“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.