SCHEMBL21777486

SCHEMBL21777486

O=c1ccc2cc(S(=O)(=O)Cl)c(Cl)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.50
CA12 O43570 3/20 0.42
CA9 Q16790 3/20 0.42
MAPK1 P28482 3/20 0.41
POLB P06746 3/20 0.40
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
AKR1B1 P15121 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL24002447 0.85 F11 (0.49) F11CA12CA9MAPK1POLB
SCHEMBL1652454 0.85 F11 (0.49) F11CA12CA9MAPK1POLB
SCHEMBL21777351 0.82 CA12 (0.49) F11CA12CA9MAPK1POLB
SCHEMBL21789280 0.81 F11 (0.45) F11CA12CA9MAPK1POLB
SCHEMBL1083270 0.80 F11 (0.62) F11CA12CA9MAPK1POLB
SCHEMBL6939756 0.75 GRIN2D (0.33) LMNAMEN1KMT2AMAPTTRPV4
SCHEMBL791237 0.74 F11 (0.55) F11CA12CA9MAPK1POLB
SCHEMBL3203294 0.74 CA12 (0.47) F11CA12CA9MAPK1POLB
SCHEMBL29460062 0.72 F11 (0.58) F11CA12CA9POLBLMNA
SCHEMBL3223011 0.72 F11 (0.58) F11CA12CA9POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12582644-B2 O-GlcNAc transferase inhibitors and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2026-03-24 US disclosed
US-20210346367-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-11 US disclosed
US-20210346367-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-11 US disclosed
WO-2020047251-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-03-05 WO disclosed
WO-2020047251-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-03-05 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-12582644-B2 O-GlcNAc transferase inhibitors and uses thereof OGA, OGT, OSTC F11 2899/4885CA12 948/4885CA9 537/4885
US-20210346367-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGT, OGA, UGGT1 F11 2480/4885CA12 1054/4885CA9 456/4885

“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.