SCHEMBL3045693

SCHEMBL3045693

COC(=O)c1ccccc1S(=O)(=O)N1CCN(c2nc(Cc3ccc(C)cc3)ns2)CC1C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CNR1 P21554 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NAAA Q02083 7/20 0.38
HSD17B10 Q99714 1/20 0.37
CYP19A1 P11511 1/20 0.37
F2 P00734 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MMP1 P03956 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.35
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3055583 0.85 CNR1 (0.41) ALDH1A1CNR1NAAAUSP2TSHR
SCHEMBL12569125 0.84 CNR1 (0.45) ALDH1A1CNR1MEN1KMT2AHSD17B10
SCHEMBL3056348 0.83 CNR1 (0.44) ALDH1A1CNR1MEN1KMT2AHSD17B10
SCHEMBL2007089 0.81 ALDH1A1 (0.42) ALDH1A1CNR1MEN1KMT2ATSHR
SCHEMBL1022640 0.81 HSD11B1 (0.47) ALDH1A1MEN1KMT2AMMP1MMP3
SCHEMBL8239514 0.79 USP2 (0.40) CNR1USP2TSHR
SCHEMBL3044457 0.79 MAPT (0.41) ALDH1A1CNR1MEN1KMT2AMMP1
SCHEMBL3054414 0.79 ALDH1A1 (0.40) ALDH1A1CNR1MEN1KMT2ATSHR
SCHEMBL3065303 0.79 LMNA (0.44) ALDH1A1CNR1MEN1KMT2ATSHR
SCHEMBL2007602 0.78 LMNA (0.47) ALDH1A1CNR1MEN1KMT2AUSP2

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-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885CNR1 3782/4885MEN1 799/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885CNR1 3782/4885MEN1 799/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 ALDH1A1 1930/4885CNR1 3782/4885MEN1 799/4885

“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.