SCHEMBL7038679

SCHEMBL7038679

Cc1cccc(OS(C)(=O)=O)n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 3/20 0.39
GLO1 Q04760 1/20 0.38
GRM5 P41594 1/20 0.36
RAB9A P51151 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
HSD11B1 P28845 2/20 0.35
GLA P06280 1/20 0.35
P2RX7 Q99572 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL9865854 0.87 HCAR1 (0.39) GRM5HCAR1LMNA
SCHEMBL10461699 0.78 PTGS2 (0.43) ALDH1A1HCAR1L3MBTL1
SCHEMBL6985382 0.78 PDE4A (0.40) CCR1CCR8NOS3NOS2KDM4E
SCHEMBL3386026 0.77 KEAP1 (0.51) KDM4EALDH1A1HPGDLMNAHSD11B1
SCHEMBL9865677 0.76 HCAR1 (0.36) HCAR1
SCHEMBL11298240 0.75 GAA (0.48) KDM4EALDH1A1HPGDHSD17B10L3MBTL1
SCHEMBL28598101 0.74 SYK (0.39) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL11298244 0.74 F2 (0.42) KDM4EALDH1A1HPGDHSD17B10GRM5
SCHEMBL14082025 0.73 CCR1 (0.52) CCR1CCR8NOS3NOS2KDM4E
SCHEMBL9866318 0.73 ALDH1A1 (0.36) ALDH1A1HCAR1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116171280-A Casein kinase 1 delta modulators 詹森药业有限公司 2023-05-26 CN disclosed
US-20030069246-A1 Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines NEUROGEN CORPORATION (US) 2003-04-10 US disclosed
EP-1218379-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO 1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO 1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2002-07-03 EP disclosed
US-6372743-B1 EATING DISORDERS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS NEUROGEN CORPORATION 2002-04-16 US disclosed
WO-2001023387-A2 CERTAIN ALKYLENE DIAMINE-SUBSTITUTED PYRAZOLO[1,5,-a]-1,5-PYRIMIDINES AND PYRAZOLO[1,5-a]-1,3,5-TRIAZINES NEUROGEN CORPORATION (US) 2001-04-05 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-20030069246-A1 Certain alkylene diamine-substituted pyrazolo[1,5,-a]-1,5-pyrimidines and pyrazolo [1,5-a]-1,3,5-triazines NPY1R, NPY5R, NPY2R CCR1 481/4885CCR8 2390/4885NOS3 3046/4885

“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.