SCHEMBL7489100

SCHEMBL7489100

O=[N+]([O-])c1ccc(CSOSCc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
IDO1 P14902 4/20 0.56
LOXL2 Q9Y4K0 1/20 0.53
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
TSHR P16473 1/20 0.50
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
GFER P55789 1/20 0.47
AKR1C3 P42330 1/20 0.47
POLB P06746 1/20 0.47
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL8014656 0.82 CYP2C19 (0.59) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL3244320 0.81 CYP2C19 (0.63) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL1035377 0.81 CYP2C19 (0.81) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL28502949 0.80 IDO1 (0.53) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL10347498 0.80 CYP1A2 (0.50) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL7244787 0.79 CYP2C19 (0.79) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL9861071 0.79 BCHE (0.49) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL513721 0.78 CYP2C19 (0.59) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL513720 0.78 CYP2C19 (0.59) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL28866767 0.78 IDO1 (0.62) CYP2C19CYP1A2CYP2C9IDO1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2022-05-10 US disclosed
US-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2020-05-26 US disclosed
US-10434182-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2019-10-08 US disclosed
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2018-08-02 US disclosed
EP-3315531-A1 8-ARM POLYETHYLENE GLYCOL DERIVATIVE, MANUFACTURING METHOD AND MODIFIED BIO-RELATED SUBSTANCE THEREBY Xiamen Sinopeg Biotech Co., Ltd. (CN) 2018-05-02 EP disclosed
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR XIAMEN SINOPEG BIOTECH CO., LTD. (CN) 2017-11-02 US disclosed
EP-1204644-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
WO-2000078726-A1 IMIDAZOLINE DERIVATIVES FOR THE TREATMENT OF DIABETES, ESPECIALLY TYPE II DIABETES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
WO-2000078725-A1 SYNTHESIS OF SUBSTITUTED AMIDINES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
WO-2000078724-A2 IMIDAZOLINDERIVATIVES THEIR PREPARATION AND THEIR PHARMACEUTICAL USE ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed
US-4393058-A BACTERICIDES MEIJI SEIKA KAISHA, LTD. (JP) 1983-07-12 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 (5 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-10434182-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, MRPS18A CYP2C19 3704/4885CYP1A2 3113/4885CYP2C9 2209/4885
US-10660969-B2 Eight-arm polyethylene glycol derivative, production method therefor, and modified bio-related substance thereof MRPL38, ALG8, COG8 CYP2C19 2999/4885CYP1A2 2214/4885CYP2C9 1565/4885
US-20180214561-A1 EIGHT-ARM POLYETHYLENE GLYCOL DERIVATIVE, PRODUCTION METHOD THEREFOR, AND MODIFIEDBIO-RELATEDSUBSTANCETHEREOF MRPL38, CXCL8, ALG8 CYP2C19 2853/4885CYP1A2 2465/4885CYP2C9 1799/4885
US-11324827-B2 Multifunctionalized polyethylene glycol derivative and preparation method therefor HDGF, F11, F12 CYP2C19 3458/4885CYP1A2 3574/4885CYP2C9 3751/4885
US-20170312363-A1 MULTIFUNCTIONALIZED POLYETHYLENE GLYCOL DERIVATIVE AND PREPARATION METHOD THEREFOR HDGF, F11, F12 CYP2C19 3458/4885CYP1A2 3574/4885CYP2C9 3751/4885

“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.