SCHEMBL3067147

SCHEMBL3067147

CC(C)c1ccc2sc(C(=O)Cl)c(Cl)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.41
BCL2L1 Q07817 1/20 0.41
PFKFB3 Q16875 6/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
G6PD P11413 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 3/20 0.40
BCKDK O14874 2/20 0.40
PFKFB4 Q16877 3/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL8877598 0.80 MCL1 (0.56) MCL1BCL2L1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1255148 0.78 BCKDK (0.58) MCL1BCL2L1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1254412 0.77 MCL1 (0.51) MCL1BCL2L1ALDH1A1MAPTSMN1; SMN2
SCHEMBL9613232 0.77 MCL1 (0.66) MCL1BCL2L1ALDH1A1MAPTSMN1; SMN2
SCHEMBL13881349 0.77 MCL1 (0.50) MCL1BCL2L1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1447569 0.76 PRNP (0.60) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL12581557 0.75 MCL1 (0.41) MCL1BCL2L1ALDH1A1MAPTSMN1; SMN2
SCHEMBL12553241 0.75 MCL1 (0.41) MCL1BCL2L1ALDH1A1MAPTNPC1
SCHEMBL9613234 0.75 PFKFB3 (0.56) MCL1BCL2L1PFKFB3RXFP1PFKFB4
SCHEMBL12894484 0.75 PFKFB3 (0.47) PFKFB3ALDH1A1MAPTSMN1; SMN2NPC1

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 MCL1 3332/4885BCL2L1 1188/4885PFKFB3 4275/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MCL1 3332/4885BCL2L1 1188/4885PFKFB3 4275/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MCL1 3332/4885BCL2L1 1188/4885PFKFB3 4275/4885

“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.