SCHEMBL8736852

SCHEMBL8736852

O=C(c1ccccc1)c1ccc(Sc2ccc([S+](c3ccc(O)cc3)c3ccc(O)cc3)cc2)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
HSD17B1 P14061 2/20 0.40
HSD17B2 P37059 2/20 0.40
POLB P06746 2/20 0.39
BCL2L1 Q07817 2/20 0.39
MAPK1 P28482 1/20 0.39
PDE7A Q13946 1/20 0.39
VCAM1 P19320 1/20 0.39
SRD5A2 P31213 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ATM Q13315 1/20 0.37
HPGD P15428 2/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL1128510 0.94 BCL2L1 (0.41) MEN1RAB9AKMT2AMAPTNPC1
SCHEMBL29547380 0.94 BCL2L1 (0.41) MEN1RAB9AKMT2AMAPTNPC1
SCHEMBL30044499 0.89 BCL2L1 (0.39) MEN1RAB9AKMT2AMAPTNPC1
SCHEMBL30044789 0.89 POLB (0.41) MEN1KMT2ALMNAMAPTPOLB
Perchlorate SCHEMBL2531596 0.89 BCL2L1 (0.41) MEN1RAB9AKMT2AMAPTNPC1
SCHEMBL29447152 0.89 ALDH1A1 (0.41) LMNAMAPTPOLBBCL2L1PDE7A
SCHEMBL1127635 0.89 ALDH1A1 (0.41) LMNAMAPTPOLBBCL2L1PDE7A
Perchlorate SCHEMBL30043491 0.89 BCL2L1 (0.41) MEN1RAB9AKMT2AMAPTNPC1
SCHEMBL30043707 0.89 BCL2L1 (0.39) MEN1RAB9AKMT2AMAPTNPC1
SCHEMBL2533011 0.89 POLB (0.41) MEN1KMT2ALMNAMAPTPOLB

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-20120130117-A1 AROMATIC SULFONIUM SALT COMPOUND ADEKA CORPORATION (JP) 2012-05-24 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-20120130117-A1 AROMATIC SULFONIUM SALT COMPOUND SLC6A19, ARSA, PAH MEN1 3308/4885RAB9A 506/4885KMT2A 1675/4885

“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.