SCHEMBL22720146

SCHEMBL22720146

COc1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)c(C(=O)O)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 3/20 0.81
CTSL P07711 3/20 0.81
AKR1C3 P42330 6/20 0.65
AKR1C2 P52895 6/20 0.65
MAPT P10636 5/20 0.63
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
AKR1B10 O60218 1/20 0.60
AKR1B1 P15121 1/20 0.60
AKR1C4 P17516 1/20 0.60
AKR1C1 Q04828 1/20 0.60
MYC P01106 1/20 0.60
MAX P61244 1/20 0.60
ANO1 Q5XXA6 1/20 0.58
ANO2 Q9NQ90 1/20 0.58
LMNA P02545 2/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 2/20 0.55
GFER P55789 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL2920267 0.91 CTSV (0.69) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL16737173 0.90 CTSV (0.82) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL7331118 0.90 CTSV (1.00) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL3033026 0.89 CTSV (0.76) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL16737119 0.88 CTSV (0.79) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL16737146 0.86 CTSV (0.65) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL16737153 0.86 CTSV (0.65) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL22720113 0.85 MEN1 (0.72) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL10652234 0.85 AKR1C3 (0.63) CTSVCTSLAKR1C3AKR1C2MAPT
SCHEMBL9094091 0.83 AKR1C3 (0.82) CTSVCTSLAKR1C3AKR1C2MAPT

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 3990/4885AKR1C3 306/4885
US-12545651-B2 Diphenylamine-linked chiral bis(oxazoline) ligand without C2-symmetry, synthesis method and application thereof AOC2, AOC1, AOC3 CTSV 4064/4885CTSL 4552/4885AKR1C3 108/4885

“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.