SCHEMBL10033935

SCHEMBL10033935

O=C(CC(c1cccc(Cl)c1)S(=O)(=O)O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.70
KMT2A Q03164 2/20 0.70
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.46
ACP3 P15309 1/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDPK1 O15530 1/20 0.43
SRC P12931 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PGR P06401 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
SCHEMBL22014067 0.86 TSHR (0.56) MEN1KMT2ATSHRALDH1A1RAB9A
SCHEMBL6677049 0.86 TSHR (0.56) MEN1KMT2ATSHRALDH1A1RAB9A
SCHEMBL22014331 0.86 TSHR (0.56) MEN1KMT2ATSHRALDH1A1RAB9A
SCHEMBL6675046 0.85 PDPK1 (0.55) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL10033931 0.85 KMT2A (0.54) MEN1KMT2ATSHRALDH1A1RAB9A
SCHEMBL6673825 0.85 TSHR (0.55) MEN1KMT2ATSHRALDH1A1RAB9A
SCHEMBL10033934 0.84 GAA (0.52) MEN1KMT2ATSHRALDH1A1ACP3
SCHEMBL6680589 0.84 PDPK1 (0.53) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL15076015 0.82 MEN1 (0.69) MEN1KMT2ATSHRALDH1A1ACP3
SCHEMBL15076017 0.82 MEN1 (0.69) MEN1KMT2ATSHRALDH1A1ACP3

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
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

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 MEN1 3925/4885KMT2A 1785/4885TSHR 3940/4885

“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.