SCHEMBL25859835

SCHEMBL25859835

Cc1ccc(S(=O)(=O)O[C@H](C)c2ccccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 5/20 0.42
PTGS2 P35354 1/20 0.42
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
VDR P11473 1/20 0.40
KDM4E B2RXH2 3/20 0.40
PAX8 Q06710 1/20 0.40
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FFAR2 O15552 1/20 0.38

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
SCHEMBL16344889 1.00 KMT2A (0.42) KMT2AALDH1A1PTGS2KEAP1NFE2L2
SCHEMBL8661856 0.83 KEAP1 (0.43) KMT2AALDH1A1PTGS2KEAP1NFE2L2
SCHEMBL14650777 0.82 GAA (0.37) KMT2AALDH1A1PTGS2KEAP1NFE2L2
SCHEMBL32681940 0.81 KMT2A (0.44) KMT2AALDH1A1PTGS2KEAP1NFE2L2
SCHEMBL22440088 0.81 KMT2A (0.44) KMT2AALDH1A1PTGS2KEAP1NFE2L2
SCHEMBL1307914 0.78 SLC6A3 (0.44) KMT2AALDH1A1KDM4EMAPTLMNA
SCHEMBL1193499 0.78 SLC6A3 (0.44) KMT2AALDH1A1KDM4EMAPTLMNA
SCHEMBL506978 0.78 SLC6A3 (0.44) KMT2AALDH1A1KDM4EMAPTLMNA
SCHEMBL14650775 0.77 APLNR (0.48) ALDH1A1KEAP1NFE2L2VDRGAA
SCHEMBL22470485 0.77 TSHR (0.42) KMT2AALDH1A1PTGS2KEAP1NFE2L2

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-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER VANDERBILT UNIVERSITY 2023-07-20 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-20230227470-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER KRAS, NRAS, TP53 KMT2A 832/4885ALDH1A1 1320/4885PTGS2 1541/4885

“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.