SCHEMBL22720202

SCHEMBL22720202

O=C(O)c1cc(F)ccc1Nc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.68
CTSL P07711 3/20 0.68
MAPT P10636 8/20 0.64
MYC P01106 1/20 0.64
MAX P61244 1/20 0.64
KMT2A Q03164 6/20 0.59
MEN1 O00255 5/20 0.59
GAA P10253 1/20 0.56
AKR1C3 P42330 3/20 0.53
AKR1C2 P52895 3/20 0.53
CDK2 P24941 2/20 0.53
AKR1C4 P17516 1/20 0.52
AKR1C1 Q04828 1/20 0.52
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
NPC1 O15118 1/20 0.51
TRPA1 O75762 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 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
SCHEMBL3030579 0.89 CTSV (0.77) CTSVCTSLMAPTMYCMAX
SCHEMBL9000255 0.84 FABP3 (0.61) MAPTGAAAKR1C3AKR1C2ALDH1A1
SCHEMBL22720195 0.84 CTSV (0.78) CTSVCTSLMAPTMYCMAX
SCHEMBL6035244 0.82 CTSV (0.60) CTSVCTSLMAPTMYCMAX
SCHEMBL22720188 0.82 MAPT (0.74) CTSVCTSLMAPTMYCMAX
SCHEMBL22720190 0.82 CTSV (0.68) CTSVCTSLMAPTMYCMAX
SCHEMBL10531270 0.82 CTSV (0.68) CTSVCTSLMAPTMYCMAX
SCHEMBL6141339 0.82 CTSV (0.76) CTSVCTSLMAPTMYCMAX
SCHEMBL4249101 0.82 CTSV (0.86) CTSVCTSLMAPTMYCMAX
SCHEMBL21248515 0.82 AKR1C3 (0.69) CTSVCTSLMAPTMYCMAX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12545651-B2 Diphenylamine-linked chiral bis(oxazoline) ligand without C2-symmetry, synthesis method and application thereof ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2026-02-10 US disclosed
US-20220227719-A1 A diphenylamine-linked chiral bis(oxazoline) ligand without C2-symmetry, synthesis method and application thereof ZHEJIANG UNIVERSITY OF TECHNOLOGY (CN) 2022-07-21 US disclosed
CN-110229114-B Remove C2-toSymmetric diphenylamine type chiral bisoxazoline ligand and synthetic method and application thereof 浙江工业大学 2021-07-27 CN disclosed
WO-2020238559-A1 DE-C2-SYMMETRIC DIPHENYLAMINE-TYPE CHIRAL BISOXAZOLINE LIGAND, SYNTHESIS METHOD THEREFOR AND USE THEREOF 浙江工业大学 2020-12-03 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 (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-20220227719-A1 A diphenylamine-linked chiral bis(oxazoline) ligand without C2-symmetry, synthesis method and application thereof AOC1, AOC2, AOC3 CTSV 3526/4885CTSL 3990/4885MAPT 3073/4885
US-12545651-B2 Diphenylamine-linked chiral bis(oxazoline) ligand without C2-symmetry, synthesis method and application thereof AOC2, AOC1, AOC3 CTSV 4064/4885CTSL 4552/4885MAPT 3032/4885

“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.