SCHEMBL6157119

SCHEMBL6157119

CS(=O)(=O)OC1CCN(Cc2ccc(Oc3ccccc3)cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.46
HRH3 Q9Y5N1 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
EGLN1 Q9GZT9 1/20 0.41
HCRTR1 O43613 3/20 0.41
HCRTR2 O43614 3/20 0.41
LTA4H P09960 2/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP8 P22894 2/20 0.40
MMP12 P39900 2/20 0.40
MMP13 P45452 2/20 0.40
FAAH O00519 1/20 0.40
DRD2 P14416 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL6159390 0.93 HRH3 (0.41) F10HRH3SMN1; SMN2ALDH1A1LMNA
SCHEMBL28657596 0.90 HDAC1 (0.44) SMN1; SMN2ALDH1A1RECQLKMT2AFKBP1A
SCHEMBL21704252 0.90 HDAC1 (0.44) SMN1; SMN2ALDH1A1RECQLKMT2AFKBP1A
SCHEMBL18740361 0.90 HDAC1 (0.44) SMN1; SMN2ALDH1A1RECQLKMT2AFKBP1A
SCHEMBL16874694 0.84 MAPT (0.42) HRH3
SCHEMBL31110438 0.84 KCNH2 (0.48) LMNA
SCHEMBL16874601 0.84 KCNH2 (0.48) LMNA
SCHEMBL16874697 0.84 MAPT (0.42) HRH3
SCHEMBL16874603 0.84 KCNH2 (0.48) LMNA
SCHEMBL18768514 0.84 MAPT (0.42) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6953789-B2 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-11 US disclosed
US-20040157894-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
US-6699881-B2 MATRIX METALLOPROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20030078253-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-6420415-B1 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-1132379-A1 NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-12 EP 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-20030078253-A1 Thiol compounds, their production and use TST, QSOX1, SULT1E1 F10 3002/4885HRH3 505/4885SMN1; SMN2 3819/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 F10 2953/4885HRH3 463/4885SMN1; SMN2 3509/4885

“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.