SCHEMBL26658367

SCHEMBL26658367

CCCC(CC)[C@@H](NC(C)=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
PLA2G2C Q5R387 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
LMNA P02545 1/20 0.32
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 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
SCHEMBL23607029 0.79 KISS1R (0.33) ALDH1A1
SCHEMBL14435659 0.75 TRPV1 (0.44) ALDH1A1PLA2G2CTRPV1HDAC7HDAC8
SCHEMBL12435058 0.75 ALDH1A1 (0.38) ALDH1A1TRPV1TSHRNFKB1KDM4E
SCHEMBL12435038 0.75 ALDH1A1 (0.38) ALDH1A1TRPV1TSHRNFKB1KDM4E
SCHEMBL12435051 0.75 ALDH1A1 (0.38) ALDH1A1TRPV1TSHRNFKB1KDM4E
SCHEMBL12435037 0.75 ALDH1A1 (0.38) ALDH1A1TRPV1TSHRNFKB1KDM4E
SCHEMBL12435048 0.75 ALDH1A1 (0.38) ALDH1A1TRPV1TSHRNFKB1KDM4E
SCHEMBL12435104 0.75 ALDH1A1 (0.38) ALDH1A1TRPV1TSHRNFKB1KDM4E
SCHEMBL12435099 0.75 ALDH1A1 (0.38) ALDH1A1TRPV1TSHRNFKB1KDM4E
SCHEMBL12435056 0.75 ALDH1A1 (0.38) ALDH1A1TRPV1TSHRNFKB1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339851-A1 CXCR6 SULFONAMIDE COMPOUNDS CHEMOCENTRYX, INC. 2023-10-26 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 (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-20230339851-A1 CXCR6 SULFONAMIDE COMPOUNDS CXCR6, CXCR1, CXCR2 ALDH1A1 1964/4885PLA2G2C 3187/4885TRPV1 240/4885

“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.