SCHEMBL2265907

SCHEMBL2265907

O=Cc1cccc(CS(=O)(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.45
MAOB P27338 7/20 0.45
UNG P13051 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
SRC P12931 1/20 0.40
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
CYP2A6 P11509 1/20 0.38
FFAR1 O14842 1/20 0.38
NAT1 P18440 1/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL24691551 0.83 TDP1 (0.42) ALDH1A1CA1CA2TDP1KDM4E
SCHEMBL15651903 0.83 CA2 (0.53) MAOAMAOBUNGALDH1A1CA12
Ammonia Solution, Strong SCHEMBL8702368 0.81 TDP1 (0.41) ALDH1A1CA1CA2TDP1KDM4E
SCHEMBL15652520 0.81 MAOA (0.42) MAOAMAOBUNGALDH1A1CA12
SCHEMBL8075846 0.81 CA2 (0.41) ALDH1A1CA12CA1CA2CA9
SCHEMBL7757913 0.80 KDM4E (0.37) MAOAMAOBALDH1A1CA12CA9
SCHEMBL2269618 0.78 ALDH5A1 (0.44) ALDH1A1CYP2A6RAB9AKDM4EPTGS2
SCHEMBL29805500 0.78 MAOA (0.49) MAOAMAOBUNGALDH1A1SRC
SCHEMBL1405364 0.78 MAOA (0.49) MAOAMAOBUNGALDH1A1SRC
SCHEMBL10538158 0.78 MAOA (0.40) MAOAMAOBUNGALDH1A1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 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-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 MAOA 841/4885MAOB 675/4885UNG 3033/4885

“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.