SCHEMBL4199837

SCHEMBL4199837

CS(=O)(=O)Nc1ccc(OC[C@@H]2CO2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.61
▸ MMP1 P03956 1/20 0.61
▸ ALDH1A1 P00352 4/20 0.60
▸ LMNA P02545 4/20 0.60
▸ PKM P14618 2/20 0.60
▸ GAA P10253 2/20 0.60
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ HPGD P15428 4/20 0.53
▸ TSHR P16473 4/20 0.53
▸ TP53 P04637 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ HIF1A Q16665 2/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ PPARG P37231 1/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ AR P10275 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL8781070 1.00 MMP2 (0.61) MMP2MMP1ALDH1A1LMNAPKM
SCHEMBL26966922 0.87 ALDH1A1 (0.59) MMP2MMP1ALDH1A1LMNAPKM
SCHEMBL13948497 0.80 AR (0.60) ALDH1A1LMNAPKMGAAMAPT
SCHEMBL4199747 0.80 AR (0.60) ALDH1A1LMNAPKMGAAMAPT
SCHEMBL30646970 0.80 ALDH1A1 (0.76) MMP2MMP1ALDH1A1LMNAPKM
SCHEMBL7303636 0.80 ALDH1A1 (0.66) MMP2MMP1ALDH1A1LMNAPKM
SCHEMBL31071712 0.80 ALDH1A1 (0.76) MMP2MMP1ALDH1A1LMNAPKM
SCHEMBL3140506 0.80 ALDH1A1 (0.76) MMP2MMP1ALDH1A1LMNAPKM
SCHEMBL13948472 0.79 ALDH1A1 (0.60) ALDH1A1LMNAPKMGAANPC1
SCHEMBL15169281 0.79 ALDH1A1 (0.60) ALDH1A1LMNAPKMGAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 — — US claimed
US-20090023791-A1 PH-dependent NMDA receptor antagonists EMORY UNIVERSITY (US) 2009-01-22 — — US disclosed
US-20090023791-A1 PH-dependent NMDA receptor antagonists EMORY UNIVERSITY (US) 2009-01-22 — — US disclosed
US-7375136-B2 pH-dependent NMDA receptor antagonists EMORY UNIVERSITY (US) 2008-05-20 — — US disclosed
US-7375136-B2 pH-dependent NMDA receptor antagonists EMORY UNIVERSITY (US) 2008-05-20 — — US disclosed
EP-1436258-A4 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS UNIV EMORY (US) 2005-03-23 — — EP disclosed
US-20040138502-A1 Ph-dependent nmda receptor antagonists EMORY UNIVERSITY 2004-07-15 — — US disclosed
EP-1436258-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS Emory University (US) 2004-07-14 — — EP disclosed
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 — — US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 — — US disclosed
WO-2002072542-A2 PH-DEPENDENT NMDA RECEPTOR ANTAGONISTS EMORY UNIVERSITY (US) 2002-09-19 — — WO disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 — — US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 — — US 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 (4 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-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 MMP2 2416/4885MMP1 2726/4885ALDH1A1 725/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 MMP2 2453/4885MMP1 2180/4885ALDH1A1 524/4885
US-20090023791-A1 PH-dependent NMDA receptor antagonists GRIN1, GRIA4, GRIA1 MMP2 2834/4885MMP1 3005/4885ALDH1A1 2194/4885
US-20040138502-A1 Ph-dependent nmda receptor antagonists GRIN1, GRIN2B, GRIN3A MMP2 2604/4885MMP1 1421/4885ALDH1A1 2602/4885

“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.

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