SCHEMBL21769964

SCHEMBL21769964

CS(=O)(=O)c1ccc(-c2ccc(CCl)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.46
PTGS2 P35354 9/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
TP53 P04637 1/20 0.41
FYN P06241 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TNF P01375 1/20 0.40
PTGS1 P23219 1/20 0.40

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
SCHEMBL21770450 0.84 PTGS2 (0.54) RORCPTGS2NPC1RAB9ASMN1; SMN2
SCHEMBL4457504 0.81 PTGS2 (0.44) PTGS2CYP3A4CYP2C9PTGS1
SCHEMBL26316731 0.78 AURKA (0.54) NPC1RAB9ASMN1; SMN2TP53CYP3A4
SCHEMBL398570 0.77 ENPP2 (0.50) PTGS2CYP3A4CYP2C9
SCHEMBL1549465 0.76 GRM2 (0.50) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL388829 0.76 ENPP2 (0.57) PTGS2FYNPTGS1
SCHEMBL4214238 0.76 CA2 (0.50) PTGS2NPC1RAB9ASMN1; SMN2NFKB1
SCHEMBL21035639 0.75 CYP11B1 (0.54) NPC1RAB9ASMN1; SMN2TP53FYN
SCHEMBL2411349 0.74 CYP11B1 (0.59) NPC1RAB9ASMN1; SMN2CYP3A4
SCHEMBL21769965 0.74 RAB9A (0.42) NPC1RAB9ASMN1; SMN2TP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12016852-B2 Pyrrolidine glycosidase inhibitors ASCENEURON SA (CH) 2024-06-25 US disclosed
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-15 US disclosed
WO-2020039027-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS ASCENEURON S. A. (CH) 2020-02-27 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-12016852-B2 Pyrrolidine glycosidase inhibitors PREP, GAA, DNPEP RORC 4048/4885PTGS2 3349/4885NPC1 612/4885
US-20210213005-A1 PYRROLIDINE GLYCOSIDASE INHIBITORS PREP, GAA, DNPEP RORC 3750/4885PTGS2 3434/4885NPC1 596/4885

“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.