SCHEMBL6094396

SCHEMBL6094396

CC[C@@H](C)CC(O)S(=O)(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
HSD11B1 P28845 1/20 0.39
MMP1 P03956 3/20 0.38
MMP7 P09237 3/20 0.38
MMP12 P39900 3/20 0.38
MMP13 P45452 3/20 0.38
ACE P12821 2/20 0.38
ATM Q13315 1/20 0.38
LARS1 Q9P2J5 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CCR5 P51681 1/20 0.36
TSHR P16473 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL6095331 0.84 LARS1 (0.47) PSIP1SMN1; SMN2HSD11B1MMP1MMP7
SCHEMBL8778753 0.83 PSIP1 (0.50) PSIP1SMN1; SMN2HSD11B1MMP1MMP7
SCHEMBL3917298 0.77 SMN1; SMN2 (0.50) PSIP1SMN1; SMN2HSD11B1MMP1MMP7
SCHEMBL27816013 0.74 PSIP1 (0.48) PSIP1SMN1; SMN2HSD11B1MMP1MMP7
SCHEMBL2446838 0.74 PSIP1 (0.52) PSIP1SMN1; SMN2HSD11B1MMP1MMP7
SCHEMBL3328706 0.73 TSHR (0.48) PSIP1SMN1; SMN2MMP1MMP13LMNA
SCHEMBL17055249 0.73 MMP1 (0.44) PSIP1SMN1; SMN2HSD11B1MMP1MMP7
SCHEMBL27948845 0.72 HPGD (0.51) PSIP1SMN1; SMN2MMP1MMP7MMP12
SCHEMBL27430447 0.72 TSHR (0.43) PSIP1SMN1; SMN2HSD11B1MMP1MMP7
SCHEMBL4432536 0.72 TSHR (0.43) PSIP1SMN1; SMN2HSD11B1MMP1MMP7

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-7101892-B2 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. 2006-09-05 US disclosed
US-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands MERCK SHARP & DOHME LTD. (GB) 2004-11-18 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-20040229864-A1 Sulfone derivatives as 5-HT7 receptor ligands HTR7, HTR2C, HTR1A PSIP1 1776/4885SMN1; SMN2 1794/4885HSD11B1 767/4885

“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.