SCHEMBL6040997

SCHEMBL6040997

CC(C)c1cccc(C2CCS(=O)(=O)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 4/20 0.48
ADAM10 O14672 3/20 0.40
MMP2 P08253 1/20 0.40
HDAC4 P56524 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC2 Q92769 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MDM4 O15151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
TYR P14679 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
CA5A P35218 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL15566600 0.84 HTR2C (0.43) SOS1ADAM10MMP2HDAC4HDAC8
SCHEMBL7634263 0.81 HDAC4 (0.47) ADAM10MMP2HDAC4HDAC8HDAC2
SCHEMBL5667630 0.80 KMO (0.49) ADAM10MMP2HDAC4HDAC8HDAC2
SCHEMBL5670741 0.79 ESR2 (0.43) ADAM10MMP2HDAC4HDAC8HDAC2
SCHEMBL15502380 0.79 QDPR (0.50) ADAM10MMP2ERBB2TLR9TLR8
SCHEMBL6388862 0.78 ESR2 (0.43) SOS1ADAM10MMP2HDAC4HDAC8
SCHEMBL1364527 0.77 HTR2C (0.38) SOS1ADAM10MMP2HDAC4HDAC8
SCHEMBL12278164 0.77 HTR2C (0.62) SOS1TLR9TLR8TLR7HTR2C
SCHEMBL5669789 0.77 HTR2C (0.38) ADAM10MMP2HDAC4HDAC8HDAC2
SCHEMBL19633776 0.77 SOS1 (0.46) SOS1ADAM10MMP2HDAC4HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US claimed
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2006-01-19 US disclosed
US-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-11-24 US disclosed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 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 (3 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-20050261273-A1 Substituted urea and carbamate, phenacyl-2-hydroxy-3-diaminoalkane, and benzamide-2-hydroxy-3-diaminoalkane aspartyl-protease inhibitors DNPEP, ASPH, PEPD SOS1 4710/4885ADAM10 769/4885MMP2 1134/4885
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP SOS1 4068/4885ADAM10 210/4885MMP2 577/4885
US-20060014790-A1 Methods of treatment of amyloidosis using spirocyclohexane aspartyl-protease inhibitors ASPH, DNPEP, ACE SOS1 3569/4885ADAM10 123/4885MMP2 279/4885

“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.