SCHEMBL31599460

SCHEMBL31599460

O=C(O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.72
ALDH1A1 P00352 3/20 0.65
LMNA P02545 2/20 0.65
MAPT P10636 1/20 0.65
MCL1 Q07820 2/20 0.59
BCL2 P10415 1/20 0.59
BID P55957 1/20 0.59
NOD2 Q9HC29 4/20 0.56
NOD1 Q9Y239 4/20 0.56
HDAC3 O15379 3/20 0.56
HDAC4 P56524 3/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC7 Q8WUI4 3/20 0.56
HDAC2 Q92769 3/20 0.56
HDAC10 Q969S8 3/20 0.56
HDAC11 Q96DB2 3/20 0.56
HDAC8 Q9BY41 3/20 0.56
HDAC6 Q9UBN7 3/20 0.56
HDAC9 Q9UKV0 3/20 0.56
HDAC5 Q9UQL6 3/20 0.56

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
SCHEMBL4121234 1.00 CCR2 (0.72) CCR2ALDH1A1LMNAMAPTMCL1
Hydrochloric Acid SCHEMBL4119324 0.98 CCR2 (0.71) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL6864420 0.90 ALDH1A1 (0.73) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL16794402 0.90 NOD1 (0.71) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL13802522 0.90 CCR2 (0.76) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL3836440 0.88 ALDH1A1 (0.62) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL3056166 0.88 ALDH1A1 (0.62) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL6955317 0.87 CCR2 (0.73) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL3146260 0.86 CCR2 (0.64) CCR2ALDH1A1LMNAMAPTMCL1
SCHEMBL13114468 0.86 CCR2 (0.64) CCR2ALDH1A1LMNAMAPTMCL1

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
EP-4713340-A2 COMPOSITIONS AND METHODS FOR PEPTIDE-BASED MODULATORS OF HUMAN PAPILLOMAVIRUS ONCOPROTEIN E6 Calico Life Sciences LLC (US) 2026-03-25 EP claimed
EP-4713340-A2 COMPOSITIONS AND METHODS FOR PEPTIDE-BASED MODULATORS OF HUMAN PAPILLOMAVIRUS ONCOPROTEIN E6 Calico Life Sciences LLC (US) 2026-03-25 EP disclosed
WO-2025111511-A2 REVERSIBLY REACTIVE AFFINITY SELECTION MASS SPECTROMETRY AND USES THEREOF CALICO LIFE SCIENCES LLC (US) 2025-05-30 WO disclosed