SCHEMBL5281443

SCHEMBL5281443

COc1ccc(C(N)C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.52
PTGS2 P35354 3/20 0.50
AKR1C3 P42330 3/20 0.50
AKR1C2 P52895 3/20 0.50
CYP1A2 P05177 3/20 0.50
PTGS1 P23219 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
GRM8 O00222 2/20 0.50
GRM6 O15303 2/20 0.50
GRM4 Q14833 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
CDC42 P60953 1/20 0.50
RAC1 P63000 1/20 0.50
TSHR P16473 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
ACP3 P15309 1/20 0.49
PARP1 P09874 1/20 0.48
PARP10 Q53GL7 1/20 0.48
PARP2 Q9UGN5 1/20 0.48

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
SCHEMBL7042339 1.00 LDHA (0.52) LDHAPTGS2AKR1C3AKR1C2CYP1A2
SCHEMBL7037842 1.00 LDHA (0.52) LDHAPTGS2AKR1C3AKR1C2CYP1A2
SCHEMBL30057651 0.94 ALOX5 (0.54) LDHAPTGS2AKR1C3AKR1C2CYP1A2
SCHEMBL11664001 0.87 ALDH1A1 (0.42) LDHAPTGS2AKR1C3AKR1C2CYP1A2
SCHEMBL2879870 0.84 CA1 (0.53) CYP1A2CA1CA2NPSR1ACP3
SCHEMBL1354444 0.84 CA1 (0.53) CYP1A2CA1CA2NPSR1ACP3
SCHEMBL1115061 0.84 CA1 (0.53) CYP1A2CA1CA2NPSR1ACP3
SCHEMBL5966755 0.84 AKR1C3 (0.69) PTGS2AKR1C3AKR1C2CYP1A2PTGS1
SCHEMBL5966760 0.84 AKR1C3 (0.69) PTGS2AKR1C3AKR1C2CYP1A2PTGS1
SCHEMBL13527786 0.82 HSD17B10 (0.61) CYP1A2PTGS1GRM8GRM6GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
US-4233456-A Process for the manufacture of optically active, optionally substituted 2-amino-2-phenylacetic acid RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1980-11-11 US claimed
US-4185116-A L- and DL- Phenylglycines to treat diseases or conditions attributable to reduced carbohydrate metabolism PFIZER INC. (US) 1980-01-22 US claimed
US-4172846-A Process for separating a mixture of an optically active phenylglycine amide and an optically active phenylglycine STAMICARBON, B.V. (NL) 1979-10-30 US claimed
US-4148920-A CARDIOVASCULAR DISORDERS, DIABETICS, OBESITY PFIZER INC. (US) 1979-04-10 US claimed
US-12173018-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2024-12-24 US disclosed
US-20230339854-A1 Negative Allosteric Modulation of GluN3-Containing N-Methyl-D-Aspartate Receptors UNIV EMORY (US) 2023-10-26 US disclosed
US-20230339854-A1 Negative Allosteric Modulation of GluN3-Containing N-Methyl-D-Aspartate Receptors UNIV EMORY (US) 2023-10-26 US disclosed
US-11774853-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-03 US disclosed
WO-2023081764-A1 HEXADEPSIPEPTIDE COMPOUNDS AND METHODS OF USING THE SAME ZYMERGEN INC. (US) 2023-05-11 WO disclosed
US-11415887-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-08-16 US disclosed
US-11187980-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-11-30 US disclosed
US-3978223-A UREIDOACETAMIDO-PENICILLINS FOR TREATING BACTERIAL INFECTIONS BAYER AKTIENGESELLSCHAFT (DT) 1976-08-31 US disclosed
US-3974140-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-08-10 US disclosed
US-3965093-A 6-Arylthio penicillanic acid and derivatives thereof E. R. SQUIBB & SONS, INC. (US) 1976-06-22 US disclosed
US-3959258-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed
US-3954744-A ANTIBACTERIAL E. R. SQUIBB & SONS, INC. (US) 1976-05-04 US disclosed
US-3939149-A BACTERICIDE BAYER AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed
US-3936442-A ANTIBIOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-02-03 US disclosed
US-3933795-A Ureidoacetamido-penicillins Konig, Hans-Bodo (DT) 1976-01-20 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 (2 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-12173018-B2 Penicillin-binding protein inhibitors PEPD, BPGM, EBPL LDHA 2079/4885PTGS2 3378/4885AKR1C3 4142/4885
US-20230339854-A1 Negative Allosteric Modulation of GluN3-Containing N-Methyl-D-Aspartate Receptors GRIN3A, GRIN3B, GRIN1 LDHA 3923/4885PTGS2 1453/4885AKR1C3 4793/4885

“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.