SCHEMBL22501317

SCHEMBL22501317

CC(C(=O)O)c1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 11/20 0.50
▸ PTGS1 P23219 8/20 0.47
▸ AKR1C3 P42330 5/20 0.47
▸ CYP2C9 P11712 4/20 0.47
▸ AKR1C2 P52895 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ CXCR1 P25024 2/20 0.47
▸ CXCR2 P25025 2/20 0.47
▸ ALB P02768 2/20 0.47
▸ SLC22A6 Q4U2R8 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ ALOX5 P09917 1/20 0.47
▸ RARB P10826 1/20 0.47
▸ ADRB3 P13945 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ HTR2A P28223 1/20 0.47
▸ NR1I3 Q14994 1/20 0.47
▸ CXCL8 P10145 1/20 0.47
▸ BLM P54132 1/20 0.47

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
SCHEMBL30987858 0.79 CA1 (0.44) PTGS2CYP2C9TP53SLC6A3CA1
SCHEMBL28173737 0.78 AKR1C3 (0.43) PTGS2PTGS1AKR1C3AKR1C2ALB
SCHEMBL59197 0.78 PTGS2 (0.74) PTGS2PTGS1AKR1C3CYP2C9AKR1C2
SCHEMBL464581 0.77 PTGS2 (0.57) PTGS2PTGS1AKR1C3CYP2C9AKR1C2
SCHEMBL19962169 0.77 NOS3 (0.50) PTGS2TP53SLC6A3CA1CA2
SCHEMBL13455319 0.77 CA1 (0.44) PTGS2CYP2C9TP53SLC6A3CA1
Alanine SCHEMBL28291828 0.75 PTGS2 (0.43) PTGS2PTGS1ALBTP53CA1
SCHEMBL25403273 0.75 NR1I2 (0.53) PTGS2PTGS1CYP2C9LMNAALB
SCHEMBL17823121 0.75 TP53 (0.41) PTGS2ALBTP53SLC6A3CA1
SCHEMBL14032361 0.75 TBXAS1 (0.44) PTGS2PTGS1AKR1C3CYP2C9AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250214912-A1 CARRIER-PROTEIN POLYSACCHARIDE CONJUGATION METHODS VAXCYTE, INC. 2025-07-03 — — US disclosed
US-12252454-B2 Carrier-protein polysaccharide conjugation methods VAXCYTE, INC. (US) 2025-03-18 — — US disclosed
US-20240200070-A1 EXPANDING THE CHEMICAL SUBSTRATES FOR GENETIC CODE REPROGRAMMING THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2024-06-20 — — US disclosed
EP-4200268-A1 CARRIER-PROTEIN POLYSACCHARIDE CONJUGATION METHODS VAXCYTE, INC. (US) 2023-06-28 — — EP disclosed
US-20230183147-A1 CARRIER-PROTEIN POLYSACCHARIDE CONJUGATION METHODS VAXCYTE, INC. 2023-06-15 — — US disclosed
US-20220125907-A1 OPTIMIZED CELL-FREE SYNTHESIS OF INVASION PLASMID ANTIGEN B AND RELATED COMPOSITIONS AND METHODS OF USE VAXCYTE, INC. 2022-04-28 — — US disclosed
WO-2022040266-A1 CARRIER-PROTEIN POLYSACCHARIDE CONJUGATION METHODS VAXCYTE, INC. (US) 2022-02-24 — — WO disclosed
EP-3946443-A1 OPTIMIZED CELL-FREE SYNTHESIS OF INVASION PLASMID ANTIGEN B AND RELATED COMPOSITIONS AND METHODS OF USE VAXCYTE, INC. (US) 2022-02-09 — — EP disclosed
CN-114025789-A Optimized cell-free synthesis of invasive plasmid antigen B and related compositions and methods of use VAXCYTE公司 2022-02-08 — — CN disclosed
WO-2020205584-A1 OPTIMIZED CELL-FREE SYNTHESIS OF INVASION PLASMID ANTIGEN B AND RELATED COMPOSITIONS AND METHODS OF USE VAXCYTE, INC. (US) 2020-10-08 — — 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 (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-20250214912-A1 CARRIER-PROTEIN POLYSACCHARIDE CONJUGATION METHODS DDOST, STT3B, STT3A PTGS2 4122/4885PTGS1 4545/4885AKR1C3 3321/4885
US-20230183147-A1 CARRIER-PROTEIN POLYSACCHARIDE CONJUGATION METHODS DDOST, STT3B, STT3A PTGS2 4122/4885PTGS1 4545/4885AKR1C3 3321/4885
US-12252454-B2 Carrier-protein polysaccharide conjugation methods DDOST, STT3B, STT3A PTGS2 4122/4885PTGS1 4545/4885AKR1C3 3321/4885

“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.

Send feedback