SCHEMBL3058440

SCHEMBL3058440

O=S(=O)(Cl)/C(Br)=C/c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 3/20 0.46
AKR1C3 P42330 2/20 0.45
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.41
AKR1C1 Q04828 1/20 0.39
RAB9A P51151 4/20 0.39
MAPT P10636 4/20 0.39
HTT P42858 2/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
PAX8 Q06710 1/20 0.39
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 2/20 0.37
GAA P10253 1/20 0.37
PTGS2 P35354 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL3058444 1.00 FBP1 (0.46) FBP1AKR1C3ALDH1A1TSHRAKR1C1
SCHEMBL31612358 0.81 FBP1 (0.47) FBP1AKR1C3ALDH1A1TSHRAKR1C1
SCHEMBL17044649 0.78 FBP1 (0.48) FBP1AKR1C3ALDH1A1TSHRAKR1C1
SCHEMBL11540895 0.75 AKR1C3 (0.50) FBP1AKR1C3ALDH1A1TSHRAKR1C1
SCHEMBL11540897 0.75 AKR1C3 (0.50) FBP1AKR1C3ALDH1A1TSHRAKR1C1
SCHEMBL28055679 0.75 FBP1 (0.41) FBP1AKR1C3ALDH1A1TSHRAKR1C1
SCHEMBL8048764 0.73 AKR1C3 (0.48) FBP1AKR1C3ALDH1A1TSHRAKR1C1
SCHEMBL4704674 0.70 FBP1 (0.48) FBP1AKR1C3ALDH1A1TSHRAKR1C1
SCHEMBL2025022 0.70 FBP1 (0.48) FBP1AKR1C3ALDH1A1TSHRAKR1C1
SCHEMBL3911150 0.69 AKR1C3 (0.52) FBP1AKR1C3ALDH1A1TSHRAKR1C1

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 FBP1 4059/4885AKR1C3 2970/4885ALDH1A1 1930/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FBP1 4059/4885AKR1C3 2970/4885ALDH1A1 1930/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 FBP1 4059/4885AKR1C3 2970/4885ALDH1A1 1930/4885

“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.