SCHEMBL1021100

SCHEMBL1021100

COc1ccc(S(=O)(=O)NCC(C)Nc2nc(Cc3cccc(F)c3)ns2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
ALDH1A1 P00352 8/20 0.40
MAPT P10636 4/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 3/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
ADAM17 P78536 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
ACHE P22303 1/20 0.37

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
SCHEMBL1020769 0.92 CYP19A1 (0.47) CYP19A1ALDH1A1MAPTTP53LMNA
SCHEMBL1020571 0.90 MAPT (0.48) CYP19A1ALDH1A1MAPTTP53LMNA
SCHEMBL1018475 0.89 ALDH1A1 (0.50) ALDH1A1MAPTTP53LMNAPOLB
SCHEMBL1019470 0.89 ALDH1A1 (0.50) CYP19A1ALDH1A1MAPTLMNAPOLB
SCHEMBL1021548 0.88 ALDH1A1 (0.45) CYP19A1ALDH1A1LMNAPOLBSMN1; SMN2
SCHEMBL1019776 0.87 LMNA (0.41) ALDH1A1MAPTTP53LMNASMN1; SMN2
SCHEMBL1021737 0.84 ALDH1A1 (0.47) CYP19A1ALDH1A1MAPTTP53LMNA
SCHEMBL1021412 0.84 ALDH1A1 (0.51) ALDH1A1MAPTTP53LMNASMN1; SMN2
SCHEMBL1018353 0.84 ALDH1A1 (0.40) ALDH1A1MAPTTP53LMNAPOLB
SCHEMBL1022179 0.83 CA1 (0.43) ALDH1A1MAPTTP53LMNAPOLB

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-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US claimed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP claimed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 US claimed
US-7960556-B2 Thiadiazole derivatives for the treatment of neuro-degenerative diseases NV REMYND (BE) 2011-06-14 US disclosed
EP-2094677-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES REMYND NV (BE) 2011-01-12 EP disclosed
US-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES NV REMYND (BE) 2010-06-10 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-20100144709-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO-DEGENERATIVE DISEASES SNCA, PARK7, PRNP CYP19A1 4749/4885ALDH1A1 608/4885MAPT 4/4885

“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.