SCHEMBL1022901

SCHEMBL1022901

COc1ccc(S(=O)(=O)NCCN(C)c2nc(Cc3cccc(F)c3)ns2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
CYP19A1 P11511 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.40
USP2 O75604 1/20 0.40
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
SGMS1 Q86VZ5 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
DGAT1 O75907 1/20 0.39
MGAT3 Q09327 1/20 0.39
MGAT2 Q10469 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 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
SCHEMBL1020465 0.92 CYP19A1 (0.47) ALDH1A1CYP19A1POLBMAPTLMNA
SCHEMBL1020726 0.90 MAPT (0.50) ALDH1A1CYP19A1POLBMAPTLMNA
SCHEMBL1020706 0.89 ALDH1A1 (0.55) ALDH1A1POLBMAPTSMN1; SMN2PKM
SCHEMBL1021297 0.89 ALDH1A1 (0.54) ALDH1A1CYP19A1POLBMAPTSMN1; SMN2
SCHEMBL1022033 0.88 ALDH1A1 (0.51) ALDH1A1CYP19A1POLBLMNASMN1; SMN2
SCHEMBL1023771 0.87 ALDH1A1 (0.44) ALDH1A1POLBMAPTLMNASMN1; SMN2
SCHEMBL2002634 0.86 MGAT3 (0.42) ALDH1A1CYP19A1POLBMAPTSMN1; SMN2
SCHEMBL1020919 0.84 ALDH1A1 (0.51) ALDH1A1POLBMAPTLMNASMN1; SMN2
SCHEMBL1023625 0.84 HTR7 (0.44) ALDH1A1POLBMAPTLMNASMN1; SMN2
SCHEMBL1020152 0.83 MEN1 (0.48) ALDH1A1POLBSMN1; SMN2PKMUSP2

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 3 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 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 ALDH1A1 608/4885CYP19A1 4749/4885POLB 2907/4885

“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.