SCHEMBL7398555

SCHEMBL7398555

CN(C(=O)OC(C)(C)C)C(C)(CC(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
HDAC6 Q9UBN7 2/20 0.33
CA14 Q9ULX7 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL15156589 1.00 HMGCR (0.40) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL22164450 0.83 HDAC6 (0.34) HDAC6CA14HDAC1HDAC2TDP1
SCHEMBL28846132 0.82 NAALAD2 (0.41) HDAC6HDAC1HDAC2ALDH1A1MEN1
SCHEMBL30475222 0.82 NAALAD2 (0.41) HDAC6HDAC1HDAC2ALDH1A1MEN1
SCHEMBL22556589 0.81 HMGCR (0.38) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL7395136 0.79 HDAC6 (0.33) HDAC6HDAC1HDAC2
SCHEMBL7398042 0.77 L3MBTL1 (0.33) TSHRHDAC6HDAC1HDAC2ALDH1A1
SCHEMBL5813853 0.76 HMGCR (0.46) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL15640903 0.76 MEN1 (0.31) HDAC6HDAC1HDAC2MEN1GAA
SCHEMBL186289 0.74 HDAC6 (0.34) TSHRHDAC6CA14HDAC1HDAC2

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-20240156965-A1 DICHALCOGENIDE PRODRUGS LUDWIG-MAXIMILIANS-UNIVERSITAT MUNCHEN (DE) 2024-05-16 US disclosed
EP-4071148-A1 DICHALCOGENIDE PRODRUGS Ludwig-Maximilians-Universität München (DE) 2022-10-12 EP disclosed
EP-1183238-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2002-03-06 EP disclosed
WO-2000069816-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-11-23 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-20240156965-A1 DICHALCOGENIDE PRODRUGS DHCR7, DECR1, CYP27A1 HMGCR 134/4885CHRM1 4457/4885TBXA2R 1842/4885

“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.