SCHEMBL3820895

SCHEMBL3820895

CC(=O)SOc1ccccc1C(=O)OC(C)N(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PTGS2 P35354 2/20 0.36
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 2/20 0.35
XBP1 P17861 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL3807269 0.81 HSD17B10 (0.56) NPC1PTGS2KDM4EHSD17B10LMNA
SCHEMBL9257340 0.77 SLC6A3 (0.54) L3MBTL1KDM4EHSD17B10LMNAMAPT
SCHEMBL11677648 0.74 ALDH1A1 (0.52) NPC1PTGS2KDM4EHSD17B10LMNA
SCHEMBL3682302 0.74 KDM4E (0.59) PTGS2KDM4EHSD17B10LMNACYP1A2
SCHEMBL28967961 0.73 ALDH1A1 (0.55) NPC1SCN1ASCN2ASCN3AMAPT
SCHEMBL28887022 0.73 KMT2A (0.46) LMNAHPGDMAPTHTTALDH1A1
SCHEMBL28458711 0.73 ALDH1A1 (0.56) NPC1L3MBTL1KDM4EHSD17B10HPGD
SCHEMBL11769687 0.71 KMT2A (0.45) NPC1KDM4ELMNASCN1ASCN2A
SCHEMBL3807262 0.71 CA12 (0.41) NPC1ADRA2AADRA2BADRA2CPDK2
SCHEMBL65543 0.69 TSHR (0.55) NPC1LMNACYP1A2SCN1ASCN2A

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-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2021-11-18 US claimed
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 US claimed

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-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES NPC1 55/4885L3MBTL1 4866/4885PTGS2 7/4885
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES NPC1 55/4885L3MBTL1 4866/4885PTGS2 7/4885

“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.