SCHEMBL6674853

SCHEMBL6674853

O=C(CC(c1ccc(F)cc1)S(=O)(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TSHR P16473 1/20 0.49
HSD11B1 P28845 2/20 0.48
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALPG P10696 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL6677049 0.89 TSHR (0.56) ALDH1A1L3MBTL1KDM4ESMN1; SMN2NPC1
SCHEMBL22014067 0.89 TSHR (0.56) ALDH1A1L3MBTL1KDM4ESMN1; SMN2NPC1
SCHEMBL22014331 0.89 TSHR (0.56) ALDH1A1L3MBTL1KDM4ESMN1; SMN2NPC1
SCHEMBL6673825 0.87 TSHR (0.55) ALDH1A1L3MBTL1KDM4ESMN1; SMN2NPC1
SCHEMBL10033931 0.85 KMT2A (0.54) ALDH1A1L3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL6677047 0.85 NPC1 (0.63) ALDH1A1L3MBTL1KDM4ESMN1; SMN2NPC1
SCHEMBL6680199 0.81 NPC1 (0.76) ALDH1A1L3MBTL1KDM4ESMN1; SMN2NPC1
SCHEMBL10033920 0.80 KMT2A (0.54) ALDH1A1SMN1; SMN2NPC1RAB9ATDP1
SCHEMBL10033957 0.80 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4ESMN1; SMN2NPC1
SCHEMBL6674938 0.79 RAB9A (0.56) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204636-B1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM IP ASSETS BV (NL) 2004-10-27 EP claimed
US-6639103-B1 Enantiomerically enriched forms; resolving amino functiona-lized enantiomers DSM N.V. (NL) 2003-10-28 US claimed
EP-1204636-A1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM N.V. (NL) 2002-05-15 EP claimed
WO-2001014327-A1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM N.V. (NL) 2001-03-01 WO claimed
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US disclosed
US-20120029197-A1 Method for Preparing Sulfur-Containing Compounds THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2012-02-02 US disclosed
WO-2010066450-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2010-06-17 WO disclosed
EP-1204636-B1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM IP ASSETS BV (NL) 2004-10-27 EP disclosed
US-6639103-B1 Enantiomerically enriched forms; resolving amino functiona-lized enantiomers DSM N.V. (NL) 2003-10-28 US disclosed
EP-1204636-A1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM N.V. (NL) 2002-05-15 EP disclosed
WO-2001014327-A1 3-OXOPROPANE-1-SULPHONIC ACIDS AND SULPHONATES DSM N.V. (NL) 2001-03-01 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 (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-20120029197-A1 Method for Preparing Sulfur-Containing Compounds SULT1E1, SULT1A1, TST ALDH1A1 195/4885L3MBTL1 3597/4885KDM4E 852/4885

“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.