SCHEMBL4138759

SCHEMBL4138759

O=C(O)c1cccc(COc2ccccc2)c1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.81
MRGPRX4 Q96LA9 14/20 0.80
TP53 P04637 2/20 0.77
PKM P14618 2/20 0.77
NFKB1 P19838 2/20 0.77
NFKB2 Q00653 2/20 0.77
RELA Q04206 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
RAB9A P51151 1/20 0.77
RXFP1 Q9HBX9 1/20 0.77

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
SCHEMBL22480784 0.94 MRGPRX4 (0.74) NR4A2MRGPRX4TP53PKMNFKB1
SCHEMBL4406160 0.93 NR4A2 (0.87) NR4A2MRGPRX4TP53PKMNFKB1
SCHEMBL1756369 0.91 MRGPRX4 (0.81) NR4A2MRGPRX4TP53PKMNFKB1
SCHEMBL1122713 0.90 NR4A2 (0.94) NR4A2MRGPRX4SMN1; SMN2
SCHEMBL339009 0.90 NR4A2 (1.00) NR4A2MRGPRX4SMN1; SMN2
SCHEMBL30207018 0.90 NR4A2 (1.00) NR4A2MRGPRX4SMN1; SMN2
SCHEMBL3565625 0.89 MRGPRX4 (1.00) NR4A2MRGPRX4TP53PKMNFKB1
SCHEMBL1123155 0.89 NR4A2 (0.91) NR4A2MRGPRX4TP53PKMNFKB1
SCHEMBL6836371 0.88 MRGPRX4 (0.75) NR4A2MRGPRX4TP53PKMNFKB1
Hydrochloric Acid SCHEMBL4748074 0.88 NR4A2 (0.97) NR4A2MRGPRX4SMN1; 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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6156774-A Beta-thiopropionyl-amino acid derivatives and their use as beta-lactamase inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-05 US claimed
EP-1000024-A1 MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 2000-05-17 EP claimed
EP-0970062-A2 PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES SMITHKLINE BEECHAM PLC (GB) 2000-01-12 EP claimed
EP-0934262-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-08-11 EP claimed
WO-1999006365-A1 MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-02-11 WO claimed
WO-1998040056-A2 PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1998-09-17 WO claimed
WO-1998017639-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1998-04-30 WO claimed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-12 US disclosed
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-05-25 US disclosed
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS INCYTE CORPORATION 2023-05-25 US disclosed
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-05-09 US disclosed
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods ESCIENT PHARMACEUTICALS, INC. (US) 2023-05-09 US disclosed
EP-0934262-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-08-11 EP disclosed
WO-1999006365-A1 MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1999-02-11 WO disclosed
WO-1998040056-A2 PYRROLIDINE AND THIAZOLE DERIVATIVES WITH METALLO-BETA-LACTAMASE INHIBITORY PROPERTIES SMITHKLINE BEECHAM PLC (GB) 1998-09-17 WO disclosed
WO-1998017639-A1 BETA-THIOPROPIONYL-AMINO ACID DERIVATIVES AND THEIR USE AS BETA-LACTAMASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1998-04-30 WO disclosed
EP-0135838-B1 3-PHENYL-4-METHOXYCARBONYL PYRAZOLES, PROCESS FOR THEIR PREPARATION AND THEIR USE AGAINST PLANT GROWTH BASF Aktiengesellschaft (DE) 1990-04-18 EP disclosed
US-4537617-A HEBICIDES BASF AKTIENGESELLSCHAFT (DE) 1985-08-27 US disclosed
EP-0135838-A2 3-Phenyl-4-methoxycarbonyl pyrazoles, process for their preparation and their use against plant growth BASF Aktiengesellschaft (DE) 1985-04-03 EP 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 (3 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-11840521-B2 Modulators of Mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 NR4A2 344/4885MRGPRX4 1/4885TP53 4046/4885
US-11643399-B2 Modulators of mas-related G-protein receptor X4 and related products and methods MRGPRX4, MRGPRX1, MRGPRX2 NR4A2 344/4885MRGPRX4 1/4885TP53 4046/4885
US-20230159474-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X4 AND RELATED PRODUCTS AND METHODS MRGPRX4, MRGPRX1, MRGPRX2 NR4A2 344/4885MRGPRX4 1/4885TP53 4046/4885

“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.