SCHEMBL14200565

SCHEMBL14200565

CC(C)NCCNS(N)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.48
CA2 P00918 11/20 0.48
PPARA Q07869 1/20 0.37
CA12 O43570 9/20 0.35
CA9 Q16790 8/20 0.35
CA14 Q9ULX7 7/20 0.35
CA5A P35218 3/20 0.35
GRIA1 P42261 3/20 0.33
CA7 P43166 2/20 0.32
TRPV4 Q9HBA0 1/20 0.32

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
SCHEMBL12890626 0.78 ALDH1A1 (0.36) CA12CA9CA14GRIA1CA7
SCHEMBL20988269 0.77 CA1 (0.50) CA1CA2PPARACA12CA9
SCHEMBL23866582 0.76 MEN1 (0.36) CA1CA2CA12CA9CA14
Ethylene SCHEMBL11862146 0.73 CA2 (0.57) CA1CA2PPARACA12CA9
SCHEMBL966015 0.73 CA1 (0.50) CA1CA2PPARACA12CA9
SCHEMBL6494923 0.73 CA1 (0.31) CA1CA2CA9GRIA1
SCHEMBL14200545 0.73 CA2 (0.45) CA1CA2PPARACA12CA9
SCHEMBL272858 0.72 TDP1 (0.36)
SCHEMBL292699 0.72
SCHEMBL3346860 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024100139-A1 USE OF IFN-I ACTIVITY AS A BIOMARKER FOR TLR INHIBITOR TREATMENT MERCK PATENT GMBH (DE) 2024-05-16 WO disclosed
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 US disclosed
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-10-08 US disclosed
US-10246478-B2 Polyene macrolide derivative SHIONOGI & CO., LTD. (JP) 2019-04-02 US disclosed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 US disclosed
US-20170190729-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-07-06 US disclosed
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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-20170190729-A1 POLYENE MACROLIDE DERIVATIVE ERG28, RPL23, RPL10 CA1 4858/4885CA2 4408/4885PPARA 3050/4885
US-10246478-B2 Polyene macrolide derivative ERG28, RPL23, RPL10 CA1 4858/4885CA2 4408/4885PPARA 3050/4885
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CA1 2293/4885CA2 4469/4885PPARA 308/4885
US-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 CA1 4822/4885CA2 4588/4885PPARA 213/4885
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 CA1 3378/4885CA2 2487/4885PPARA 3262/4885

“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.