SCHEMBL567803

SCHEMBL567803

C[C@H]1CN(C(=O)CNC(=O)OC(C)(C)C)CCCN1S(=O)(=O)c1ccc2cnccc2c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 5/20 0.57
MMP1 P03956 3/20 0.57
MMP9 P14780 2/20 0.57
ADAM17 P78536 2/20 0.52
PRMT3 O60678 13/20 0.48
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ACACB O00763 1/20 0.38

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
SCHEMBL567769 0.98 MMP13 (0.55) MMP13MMP1MMP9ADAM17PRMT3
SCHEMBL567577 0.86 MMP13 (0.51) MMP13MMP1MMP9ADAM17ROCK2
SCHEMBL567576 0.86 MMP13 (0.51) MMP13MMP1MMP9ADAM17ROCK2
SCHEMBL567993 0.86 MMP13 (0.51) MMP13MMP1MMP9ADAM17ROCK2
SCHEMBL567446 0.85 PRMT3 (0.53) MMP13MMP1MMP9ADAM17PRMT3
SCHEMBL567505 0.85 PRMT3 (0.49) MMP13MMP1MMP9PRMT3ROCK2
SCHEMBL567504 0.85 PRMT3 (0.49) MMP13MMP1MMP9PRMT3ROCK2
SCHEMBL567645 0.85 MMP1 (0.49) MMP13MMP1MMP9ADAM17ROCK2
SCHEMBL567685 0.85 MMP1 (0.49) MMP13MMP1MMP9ADAM17ROCK2
SCHEMBL567644 0.85 MMP1 (0.49) MMP13MMP1MMP9ADAM17ROCK2

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 9 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
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
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 MMP13 4729/4885MMP1 4000/4885MMP9 4791/4885

“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.