SCHEMBL12418684

SCHEMBL12418684

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.50
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
HTR2C P28335 1/20 0.38
HTR6 P50406 1/20 0.38
SNCA P37840 1/20 0.38
PKM P14618 1/20 0.37
MMP1 P03956 1/20 0.37
MMP7 P09237 1/20 0.37
ACE P12821 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
ATM Q13315 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
CNR2 P34972 1/20 0.37
LARS1 Q9P2J5 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
SCHEMBL13197241 0.93 ABL1 (0.46) ABL1AKR1C3AKR1C2L3MBTL1LMNA
SCHEMBL2625200 0.92 LMNA (0.57) ABL1L3MBTL1LMNAHTR2CHTR6
SCHEMBL13203350 0.92 AKR1C3 (0.56) ABL1AKR1C3AKR1C2L3MBTL1LMNA
SCHEMBL2629464 0.87 MEN1 (0.54) AKR1C3AKR1C2L3MBTL1LMNAPKM
SCHEMBL10060475 0.82 ALDH1A1 (0.40) ABL1MMP1MMP13
SCHEMBL9962962 0.78 ABL1 (0.37) ABL1AKR1C3AKR1C2ATMHRH4
SCHEMBL10060473 0.78 CA2 (0.48) LMNAHTR6
SCHEMBL12180488 0.77 LMNA (0.57) L3MBTL1LMNAPKM
SCHEMBL8905441 0.77 LMNA (0.55) L3MBTL1LMNAHTR2CHTR6PKM
SCHEMBL23841198 0.77 CA2 (0.45)

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 ABL1 3212/4885AKR1C3 1874/4885AKR1C2 2306/4885
US-20110171171-A1 BRIDGED SECONDARY AMINES AND USE THEREOF AS IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC7 ABL1 1424/4885AKR1C3 2638/4885AKR1C2 2894/4885

“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.