SCHEMBL2991798

SCHEMBL2991798

COc1ccc(C(N)CC(=O)O)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.59
TNF P01375 2/20 0.54
GAA P10253 1/20 0.52
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
PDE4A P27815 2/20 0.48
PDE4B Q07343 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
LDHA P00338 1/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
TPMT P51580 1/20 0.46

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
SCHEMBL4671897 1.00 ACHE (0.59) ACHETNFGAAPOLBSMN1; SMN2
SCHEMBL5720955 1.00 ACHE (0.59) ACHETNFGAAPOLBSMN1; SMN2
SCHEMBL30540379 1.00 ACHE (0.59) ACHETNFGAAPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL5743213 0.98 ACHE (0.57) ACHETNFGAAPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL5905254 0.98 ACHE (0.57) ACHETNFGAAPOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL5742665 0.98 ACHE (0.57) ACHETNFGAAPOLBSMN1; SMN2
SCHEMBL2989854 0.90 PDE4A (0.59) ACHETNFGAAPOLBSMN1; SMN2
SCHEMBL3000885 0.90 ACHE (0.49) ACHETNFGAAPOLBSMN1; SMN2
SCHEMBL21494482 0.90 PDE4A (0.59) ACHETNFGAAPOLBSMN1; SMN2
SCHEMBL21494493 0.90 PDE4A (0.59) ACHETNFGAAPOLBSMN1; SMN2

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247296-A1 Methods of using and compositions comprising (+)-3-(3,4-dimethoxy-phenyl)-3-(1-oxo-1,3-dihydro-isoindol-2-yl)-propionamide CELGENE CORPORATION 2006-11-02 US claimed
EP-1581205-A1 METHODS OF USING AND COMPOSITIONS COMPRISING (+)-3-(3,4-DIMETHOXY-PHENYL)-3-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONAMIDE CELGENE CORPORATION (US) 2005-10-05 EP claimed
EP-1477486-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2004-11-17 EP claimed
US-20040167199-A1 Methods of using and compositions comprising (-)-3-(3,4-dimethoxy-phenyl)-3-(1-oxo-1,3-dihydro-isoindol-2-yl)-propionamide CELGENE CORPORATION 2004-08-26 US claimed
WO-2004045597-A1 METHODS OF USING AND COMPOSITIONS COMPRISING (+)-3-(3,4-DIMETHOXY-PHENYL)-3-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONAMIDE CELGENE CORPORATION (US) 2004-06-03 WO claimed
US-12173018-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2024-12-24 US disclosed
US-11767295-B2 Isoindole derivative TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2023-09-26 US disclosed
CN-116622658-A Beta-amino acid dehydrogenase mutant and application thereof in synthesis of aromatic beta-amino acid compound 中国科学院天津工业生物技术研究所 2023-08-22 CN disclosed
EP-3305900-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-07-21 EP disclosed
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS VenatoRx Pharmaceuticals, Inc. 2021-07-01 US disclosed
US-20210155590-A1 ISOINDOLE DERIVATIVE TIANJIN HEMAY PHARMACEUTICAL CO., LTD. (CN) 2021-05-27 US disclosed
EP-3802551-A1 PENICILLIN-BINDING PROTEIN INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-04-14 EP disclosed
EP-0706521-A1 NOVEL IMIDES CELGENE CORPORATION (US) 1996-04-17 EP disclosed
WO-1995001348-A2 IMIDES AS INHIBITORS OF TNP ALPHA CELGENE CORPORATION (US) 1995-01-12 WO disclosed
EP-0355819-B1 Substituted aryl ureas as high potency sweeteners NUTRASWEET CO (US) 1994-01-05 EP disclosed
WO-1990002112-A1 SUBSTITUTED ARYL UREAS AS HIGH POTENCY SWEETENERS THE NUTRASWEET COMPANY (US) 1990-03-08 WO disclosed
EP-0355819-A1 Substituted aryl ureas as high potency sweeteners THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1990-02-28 EP disclosed
US-4075335-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1978-02-21 US disclosed
US-4075208-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1978-02-21 US disclosed
US-3956335-A HYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1976-05-11 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 (6 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-11767295-B2 Isoindole derivative COX4I1, ALDH1A2, GDI2 ACHE 334/4885TNF 4588/4885GAA 4033/4885
US-20040167199-A1 Methods of using and compositions comprising (-)-3-(3,4-dimethoxy-phenyl)-3-(1-oxo-1,3-dihydro-isoindol-2-yl)-propionamide PDE4A, PDE3A, PDE2A ACHE 167/4885TNF 12/4885GAA 108/4885
US-20210198288-A1 PENICILLIN-BINDING PROTEIN INHIBITORS PEPD, BPGM, EBPL ACHE 479/4885TNF 4632/4885GAA 345/4885
US-12173018-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL ACHE 479/4885TNF 4632/4885GAA 345/4885
US-20210155590-A1 ISOINDOLE DERIVATIVE COX4I1, ALDH1A2, GDI2 ACHE 334/4885TNF 4588/4885GAA 4033/4885
US-20060247296-A1 Methods of using and compositions comprising (+)-3-(3,4-dimethoxy-phenyl)-3-(1-oxo-1,3-dihydro-isoindol-2-yl)-propionamide PDE4A, PDE3A, PDE2A ACHE 182/4885TNF 11/4885GAA 404/4885

“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.