SCHEMBL31433349

SCHEMBL31433349

COc1ccc(S(=O)(=O)F)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
TSHR P16473 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
ERN1 O75460 4/20 0.44
PRKDC P78527 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TUBB1 Q9H4B7 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
EPAS1 Q99814 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7092074 0.84 SMN1; SMN2 (0.61) ALDH1A1TSHRKDM4ETDP1POLB
SCHEMBL5789989 0.83 MAPT (0.58) ALDH1A1TSHRKDM4ETDP1L3MBTL1
SCHEMBL7917725 0.83 ALDH1A1 (0.48) ALDH1A1TSHRKDM4ETDP1POLB
SCHEMBL11380066 0.83 ALDH1A1 (0.48) ALDH1A1TSHRKDM4ETDP1POLB
SCHEMBL7914200 0.83 PTGS2 (0.50) ALDH1A1TSHRKDM4ETDP1POLB
SCHEMBL7804821 0.81 ALDH1A1 (0.47) ALDH1A1TSHRKDM4ETDP1L3MBTL1
SCHEMBL7914197 0.80 L3MBTL1 (0.47) ALDH1A1TSHRKDM4ETDP1L3MBTL1
SCHEMBL7810581 0.80 ALDH1A1 (0.46) ALDH1A1TSHRKDM4ETDP1POLB
SCHEMBL7820153 0.80 ALDH1A1 (0.62) ALDH1A1TSHRKDM4EL3MBTL1POLB
SCHEMBL29164334 0.80 MAPK1 (0.70) TSHRPOLBMAPK1ALOX15SMN1; SMN2

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-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E CALICO LIFE SCIENCES LLC (US) 2025-03-06 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-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E MICA, CD74, HLA-DRB1 ALDH1A1 3213/4885TSHR 4329/4885KDM4E 691/4885

“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.