SCHEMBL17870696

SCHEMBL17870696

C[C@@H](CNC(=O)OC(C)(C)C)n1c(=O)c(-c2cccc(F)c2Cl)cn(CC(=O)O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 9/20 0.36
CYP3A4 P08684 6/20 0.36
DHODH Q02127 1/20 0.34
MALT1 Q9UDY8 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
P2RX3 P56373 1/20 0.33
SCN9A Q15858 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NCOA1 Q15788 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
KCNA5 P22460 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 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
SCHEMBL19873904 1.00 GNRHR (0.36) GNRHRCYP3A4DHODHMALT1UTS2R
SCHEMBL28644183 0.92 GNRHR (0.35) GNRHRCYP3A4DHODHMALT1UTS2R
SCHEMBL28644185 0.92 GNRHR (0.35) GNRHRCYP3A4DHODHMALT1UTS2R
SCHEMBL30178450 0.89 GNRHR (0.34) GNRHRCYP3A4DHODHMALT1UTS2R
SCHEMBL19873887 0.89 GNRHR (0.34) GNRHRCYP3A4DHODHMALT1UTS2R
SCHEMBL19873888 0.89 GNRHR (0.34) GNRHRCYP3A4DHODHMALT1UTS2R
SCHEMBL30178412 0.89 P2RX3 (0.34) P2RX3KDM4EMEN1ALDH1A1LMNA
SCHEMBL30178348 0.82 GNRHR (0.41) GNRHRCYP3A4MALT1SCN9A
SCHEMBL17870723 0.82 GNRHR (0.41) GNRHRCYP3A4MALT1SCN9A
SCHEMBL19873791 0.82 GNRHR (0.39) GNRHRCYP3A4

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
EP-3708566-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2023-02-08 EP disclosed
CN-107428744-B Novel heterocyclic compounds and their use in medicine and cosmetics 盖尔德马研究及发展公司 2021-09-24 CN disclosed
EP-3708566-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2020-09-16 EP disclosed
EP-3237403-B1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2020-05-06 EP disclosed
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2019-04-02 US disclosed
US-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2018-02-22 US disclosed
EP-3237403-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2017-11-01 EP disclosed
WO-2016102882-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THE USE THEREOF IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-30 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-20180050992-A1 NOVEL HETEROCYCLIC COMPOUNDS AND USE THEREOF IN MEDICINE AND IN COSMETICS MC1R, CALCRL, BDKRB2 GNRHR 215/4885CYP3A4 2314/4885DHODH 749/4885
US-10246422-B2 Heterocyclic compounds and use thereof in medicine and in cosmetics MC1R, BDKRB2, CCKBR GNRHR 201/4885CYP3A4 1806/4885DHODH 754/4885

“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.