SCHEMBL3394469

SCHEMBL3394469

COc1cccc(CCNS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
AKR1C3 P42330 1/20 0.65
ALDH1A1 P00352 8/20 0.65
POLB P06746 1/20 0.65
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
ACLY P53396 1/20 0.57
SGMS1 Q86VZ5 1/20 0.56
CYP19A1 P11511 2/20 0.56
CHRM2 P08172 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55

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
SCHEMBL9813024 0.89 AKR1C3 (0.76) AKR1C3ALDH1A1POLBSMN1; SMN2ACLY
SCHEMBL4618990 0.88 SFRP1 (0.67) L3MBTL1AKR1C3ALDH1A1POLBMEN1
SCHEMBL10047336 0.86 CYP19A1 (0.76) L3MBTL1ALDH1A1POLBMEN1KMT2A
SCHEMBL30822628 0.85 ALDH1A1 (0.71) L3MBTL1AKR1C3ALDH1A1MEN1KMT2A
SCHEMBL14751071 0.85 ALDH1A1 (0.71) L3MBTL1AKR1C3ALDH1A1MEN1KMT2A
SCHEMBL9128548 0.84 ALDH1A1 (0.56) L3MBTL1AKR1C3ALDH1A1POLBMEN1
SCHEMBL15619063 0.83 ALDH1A1 (0.88) AKR1C3ALDH1A1POLBMEN1KMT2A
SCHEMBL9129388 0.83 TBXA2R (0.62) L3MBTL1AKR1C3ALDH1A1MEN1KMT2A
SCHEMBL17974009 0.81 ALDH1A1 (0.66) AKR1C3ALDH1A1MEN1KMT2ACYP19A1
SCHEMBL2595657 0.81 ALDH1A1 (0.66) L3MBTL1AKR1C3ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924125-A Method for preparing sulfonamide derivative through visible light catalysis without metal participation 苏州大学 2024-04-26 CN disclosed
US-20180250308-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES WESTFALISCHE WILHELMS-UNIVERSITAT MUNSTER (DE) 2018-09-06 US disclosed
EP-3344257-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES Westfälische Wilhelms-Universität Münster (DE) 2018-07-11 EP disclosed
WO-2017036880-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES Westfälische Wilhelms-Universität Münster (DE) 2017-03-09 WO disclosed
EP-2246331-A1 NR2B-selective NMDA-receptor antagonists Westfälische Wilhelms-Universität Münster (DE) 2010-11-03 EP disclosed
EP-2246331-A1 NR2B-selective NMDA-receptor antagonists Westfälische Wilhelms-Universität Münster (DE) 2010-11-03 EP disclosed
WO-2010122134-A1 NR2B-SELECTIVE NMDA-RECEPTOR ANTAGONISTS Westfälische Wilhelms Universität Münster (DE) 2010-10-28 WO disclosed
WO-2010122134-A1 NR2B-SELECTIVE NMDA-RECEPTOR ANTAGONISTS Westfälische Wilhelms Universität Münster (DE) 2010-10-28 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-20180250308-A1 NR2B SELECTIVE NMDA-RECEPTOR ANTAGONISTS FOR TREATMENT OF IMMUNE-MEDIATED INFLAMMATORY DISEASES GRIN1, GRIN2B, GRIN3B L3MBTL1 4277/4885AKR1C3 3319/4885ALDH1A1 2771/4885

“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.