SCHEMBL26103333

SCHEMBL26103333

O=S(=O)(NCC(O)CC(O)CCc1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
GBA1 P04062 1/20 0.50
KEAP1 Q14145 1/20 0.49
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PRMT1 Q99873 1/20 0.44
AKR1C3 P42330 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL13189167 0.80 GBA1 (0.56) ALDH1A1CYP2C19GBA1KEAP1CA1
SCHEMBL26106192 0.76 GBA1 (0.55) ALDH1A1GBA1KEAP1CA1CA2
SCHEMBL5440888 0.75 GBA1 (0.63) ALDH1A1GBA1KEAP1CA1CA2
SCHEMBL174302 0.72 GBA1 (0.57) ALDH1A1CYP2C19GBA1KEAP1CA1
SCHEMBL13508355 0.72 GBA1 (0.57) ALDH1A1CYP2C19GBA1KEAP1CA1
SCHEMBL412302 0.71 ALDH1A1 (0.79) ALDH1A1KEAP1CA1CA2MAPT
SCHEMBL18221847 0.70 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C9CYP2C19GBA1
SCHEMBL11294724 0.70 MMP12 (0.68) KEAP1
SCHEMBL4799370 0.70 MMP2 (0.55) ALDH1A1TDP1HSD17B10
Hydrochloric Acid SCHEMBL9848365 0.70 TRPA1 (0.50) KEAP1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12012373-B2 Cannabinoid derivatives CANOPY GROWTH CORPORATION (CA) 2024-06-18 US disclosed
US-20230134776-A1 CANNABINOID DERIVATIVES JGB COLLATERAL LLC 2023-05-04 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 (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-20230134776-A1 CANNABINOID DERIVATIVES CNR2, CNR1, HTR2A ALDH1A1 1536/4885CYP1A2 327/4885CYP2C9 619/4885
US-12012373-B2 Cannabinoid derivatives CNR2, CNR1, HTR2A ALDH1A1 1536/4885CYP1A2 327/4885CYP2C9 619/4885

“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.