SCHEMBL567177

SCHEMBL567177

C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc2cnccc2c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.45
GPR119 Q8TDV5 14/20 0.45
MMP1 P03956 2/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
ADAM17 P78536 1/20 0.44
STS P08842 1/20 0.43
DYRK1A Q13627 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42

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
SCHEMBL567178 1.00 NAMPT (0.45) NAMPTGPR119MMP1MMP3MMP7
SCHEMBL10167599 0.94 MMP13 (0.46) NAMPTGPR119MMP1MMP9MMP13
SCHEMBL567260 0.94 MMP1 (0.43) NAMPTGPR119MMP1MMP3MMP7
SCHEMBL10167796 0.94 MMP13 (0.46) NAMPTGPR119MMP1MMP9MMP13
SCHEMBL567261 0.94 MMP1 (0.43) NAMPTGPR119MMP1MMP3MMP7
SCHEMBL566272 0.93 MMP1 (0.48) NAMPTGPR119MMP1MMP3MMP7
SCHEMBL566271 0.93 MMP1 (0.48) NAMPTGPR119MMP1MMP3MMP7
SCHEMBL568116 0.91 MMP1 (0.49) GPR119MMP1MMP3MMP7MMP9
SCHEMBL568117 0.91 MMP1 (0.49) GPR119MMP1MMP3MMP7MMP9
SCHEMBL567577 0.86 MMP13 (0.51) GPR119MMP1MMP3MMP7MMP9

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 6 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
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
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 NAMPT 2732/4885GPR119 2496/4885MMP1 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.