Sugi Predict

Sugi Predict / Compounds / SCHEMBL2600849

SCHEMBL2600849

SCHEMBL2600849

CC(C)(C)OC(=O)NCCN1C[C@H](Cc2csc(NC(=O)OC(C)(C)C)n2)[C@@H](O)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 1/20 0.46
▸ CCR2 P41597 4/20 0.38
▸ DRD2 P14416 2/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ CACNA1H O95180 1/20 0.35
▸ BRPF1 P55201 1/20 0.35
▸ CD274 Q9NZQ7 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ TMEM97 Q5BJF2 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ PTPRB P23467 1/20 0.34
▸ LMNA P02545 1/20 0.33

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
SCHEMBL2600847 1.00 SIRT1 (0.46) SIRT1CCR2DRD2PI4KBCACNA1H
SCHEMBL8294668 0.88 SIRT1 (0.43) SIRT1CCR2PI4KBBRPF1ADRA2B
SCHEMBL2600853 0.83 SIRT1 (0.53) SIRT1CCR2SMN1; SMN2KMT2A
SCHEMBL2600852 0.83 SIRT1 (0.53) SIRT1CCR2SMN1; SMN2KMT2A
SCHEMBL2600854 0.83 SIRT1 (0.45) SIRT1CCR2DRD2PI4KBCACNA1H
SCHEMBL2600845 0.82 SIRT1 (0.49) SIRT1CCR2PI4KBADRA2BSLC6A4
SCHEMBL2600856 0.82 NOS1 (0.44) SIRT1CCR2DRD2SIGMAR1
SCHEMBL2600821 0.81 DRD2 (0.42) CCR2DRD2CACNA1HCD274SIGMAR1
SCHEMBL2113782 0.81 DRD2 (0.42) CCR2DRD2CACNA1HCD274SIGMAR1
SCHEMBL2600824 0.81 DRD2 (0.42) CCR2DRD2CACNA1HCD274SIGMAR1

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
US-8158658-B2 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2012-04-17 — — US disclosed
US-7994326-B2 For treatment of various forms of neurodegeneration, including that from stroke, Alzheimer's disease, Parkinson's disease, and Huntington's disease NORTHWESTERN UNIVERSITY (US) 2011-08-09 — — US disclosed
US-20090104677-A1 Heteroaromatic Selective Inhibitors of Neuronal Nitric Oxide Synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-04-23 — — US disclosed
US-7470790-B2 Heteroaromatic selective inhibitors of neuronal nitric oxide synthase NORTHWESTERN UNIVERSITY (US) 2008-12-30 — — US disclosed
US-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-05-08 — — US disclosed
WO-2008042353-A1 POTENT AND HIGHLY SELECTIVE HETEROAROMATIC INHIBITORS OF NEURONAL NITRIC OXIDE SYNTHASE NORTHWESTERN UNIVERSITY (US) 2008-04-10 — — 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-20080108814-A1 Potent and highly selective heteroaromatic inhibitors of neuronal nitric oxide synthase NOS1, NOS2, NOS3 SIRT1 457/4885CCR2 3738/4885DRD2 1673/4885

“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.