SCHEMBL12508320

SCHEMBL12508320

CS(=O)(=O)c1ccc2cc(S(C)(=O)=O)ccc2c1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.58
AKR1C2 P52895 2/20 0.58
ATM Q13315 1/20 0.53
PTGS2 P35354 3/20 0.50
ENPP2 Q13822 2/20 0.50
G6PD P11413 1/20 0.48
IDE P14735 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 2/20 0.48
PNMT P11086 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL13203351 0.92 AKR1C3 (0.52) AKR1C3AKR1C2ATMPTGS2ENPP2
SCHEMBL758323 0.91 ATM (0.66) AKR1C3AKR1C2ATMPTGS2L3MBTL1
SCHEMBL15624757 0.89 ATM (0.59) AKR1C3AKR1C2ATMPTGS2L3MBTL1
SCHEMBL12267631 0.89 CYP2A6 (0.56) AKR1C3AKR1C2ATMPTGS2SMN1; SMN2
SCHEMBL3883747 0.87 AKR1C3 (0.49) AKR1C3AKR1C2ATMPTGS2ENPP2
SCHEMBL16289366 0.87 AKR1C3 (0.49) AKR1C3AKR1C2ATMPTGS2ENPP2
SCHEMBL10484185 0.87 AKR1C3 (0.49) AKR1C3AKR1C2ATMPTGS2G6PD
SCHEMBL8035317 0.87 ENPP2 (0.61) AKR1C3AKR1C2ATMPTGS2ENPP2
SCHEMBL12278103 0.85 AKR1C3 (0.47) AKR1C3AKR1C2ATMPTGS2ENPP2
SCHEMBL12260002 0.85 AKR1C3 (0.47) AKR1C3AKR1C2ATMPTGS2ENPP2

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-20110171171-A1 BRIDGED SECONDARY AMINES AND USE THEREOF AS IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2011-07-14 US disclosed
US-20100203012-A1 IAP BIR DOMAIN BINDING COMPOUNDS AEGERA THERAPEUTICS, INC. (CA) 2010-08-12 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 (2 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-20100203012-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 AKR1C3 1874/4885AKR1C2 2306/4885ATM 2778/4885
US-20110171171-A1 BRIDGED SECONDARY AMINES AND USE THEREOF AS IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC7 AKR1C3 2638/4885AKR1C2 2894/4885ATM 2896/4885

“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.