SCHEMBL17633862

SCHEMBL17633862

CC(N)OC(=O)CC(SCc1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.51
CYP2C19 P33261 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP2C9 P11712 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
TSHR P16473 1/20 0.42
IDO1 P14902 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
SLC15A1 P46059 1/20 0.40
CYP1A2 P05177 1/20 0.39
EPHX1 P07099 2/20 0.39
ATM Q13315 1/20 0.39
ALPI P09923 1/20 0.38
PKM P14618 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 1/20 0.38
SLC7A5 Q01650 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL11699979 0.88 EPHX1 (0.51) POLBCYP2C19ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL8896704 0.82 ALDH1A1 (0.52) POLBCYP2C19ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL9854860 0.77 ALDH1A1 (0.49) POLBCYP2C19ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL9855072 0.77 ALDH1A1 (0.49) POLBCYP2C19ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL9854865 0.77 ALDH1A1 (0.49) POLBCYP2C19ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL7540831 0.77 CYP2C19 (0.63) POLBCYP2C19ALDH1A1CYP2C9SMN1; SMN2
Ethylamine SCHEMBL11235220 0.77 CYP2C19 (0.63) POLBCYP2C19ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL11703505 0.76 POLB (0.42) POLBALDH1A1SMN1; SMN2TSHRSLC15A1
SCHEMBL8896347 0.74 EPHX1 (0.49) POLBCYP2C19ALDH1A1CYP2C9SMN1; SMN2
SCHEMBL7050743 0.74 POLB (0.51) POLBCYP2C19ALDH1A1CYP2C9SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230404947-A1 COMPOSITIONS, METHODS OF TREATMENT, AND CONTAINERS INCLUDING COMPOSITIONS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2023-12-21 US disclosed
US-20230338310-A1 ANTI-VIRAL THERAPY NOVABIOTICS LIMITED (GB) 2023-10-26 US disclosed
US-11771665-B2 Compositions, methods of treatment, and containers including compositions UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2023-10-03 US disclosed
EP-4157247-A1 ANTI-VIRAL THERAPY Novabiotics Limited (GB) 2023-04-05 EP disclosed
US-20220347126-A1 COMPOSITIONS, METHODS OF TREATMENT, AND CONTAINERS INCLUDING COMPOSITIONS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2022-11-03 US disclosed
US-11406607-B2 Compositions, methods of treatment, and containers including compositions UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2022-08-09 US disclosed
US-11369568-B2 Microparticles comprising a sulphur-containing compound NOVABIOTICS LIMITED (GB) 2022-06-28 US disclosed
WO-2021240145-A1 ANTI-VIRAL THERAPY NOVABIOTICS LIMITED (GB) 2021-12-02 WO disclosed
WO-2021203136-A1 METHODS FOR TREATING HYPERPIGMENTATION AND COMPOSITIONS FOR SAME CHEMISTRYRX (US) 2021-10-07 WO disclosed
US-20210299019-A1 METHODS FOR TREATING HYPERPIGMENTATION AND COMPOSITIONS FOR SAME CHEMISTRYRX (US) 2021-09-30 US disclosed
US-20180344671-A1 Cysteamine as Neutrophil Elastase Inhibitor NOVABIOTICS LIMITED (GB) 2018-12-06 US disclosed
US-20180185305-A1 An Amino Thiol for Use in the Treatment of an Infection Caused by the Bacterium Mycobacterium Spp NOVABIOTICS LIMITED (GB) 2018-07-05 US disclosed
EP-3307259-A1 AN AMINO THIOL FOR USE IN THE TREATMENT OF AN INFECTION CAUSED BY THE BACTERIUM MYCOBACTERIUM SPP. Novabiotics Limited (GB) 2018-04-18 EP disclosed
WO-2017212249-A1 MICROPARTICLES COMPRISING A SULPHUR-CONTAINING COMPOUND NOVABIOTICS LIMITED (GB) 2017-12-14 WO disclosed
US-20170348254-A1 MICROPARTICLES NOVABIOTICS LIMITED (GB) 2017-12-07 US disclosed
US-20170348253-A1 Treatment of Drug-Resistant Microbial Infections NOVABIOTICS LIMITED (GB) 2017-12-07 US disclosed
EP-3197476-A1 USE OF CYSTEAMINE IN TREATING INFECTIONS CAUSED BY YEASTS/MOULDS Novabiotics Limited (GB) 2017-08-02 EP disclosed
WO-2016198842-A1 AN AMINO THIOL FOR USE IN THE TREATMENT OF AN INFECTION CAUSED BY THE BACTERIUM MYCOBACTERIUM SPP. NOVABIOTICS LIMITED (GB) 2016-12-15 WO disclosed
US-20160102052-A1 Use of Cysteamine in Treating Infections caused by Yeasts/Moulds NOVABIOTICS LIMITED (GB) 2016-04-14 US disclosed
WO-2016046524-A1 USE OF CYSTEAMINE IN TREATING INFECTIONS CAUSED BY YEASTS/MOULDS NOVABIOTICS LIMITED (GB) 2016-03-31 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 (1 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-20230338310-A1 ANTI-VIRAL THERAPY MAVS, HAVCR2, IRF3 POLB 641/4885CYP2C19 4279/4885ALDH1A1 2213/4885

“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.