SCHEMBL3018893

SCHEMBL3018893

COc1cc(Cc2csc(N3CCC(S(=O)(=O)c4cccc(Cl)c4Cl)CC3)n2)cc(OC)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 4/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
THRB P10828 1/20 0.35
F2RL3 Q96RI0 5/20 0.35
F2 P00734 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34

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
SCHEMBL3016132 0.93 MEN1 (0.39) CTSSMEN1KMT2AALDH1A1GAA
SCHEMBL3008801 0.92 CTSS (0.39) CTSSKMT2AALDH1A1GAALMNA
SCHEMBL3017549 0.90 CTSS (0.40) CTSSMEN1KMT2AALDH1A1MAPK1
SCHEMBL3018013 0.88 CTSS (0.44) CTSSGAA
SCHEMBL3014619 0.87 CYP3A4 (0.39) MEN1KMT2AALDH1A1GAAMAPK1
SCHEMBL3015458 0.87 MAPT (0.36) CTSSMEN1KMT2AALDH1A1GAA
SCHEMBL3001082 0.87 MAPT (0.41) CTSSMEN1KMT2AALDH1A1GAA
SCHEMBL3010412 0.87 CTSS (0.41) CTSSMEN1KMT2AALDH1A1MAPK1
SCHEMBL3016794 0.87 TP53 (0.42) MEN1KMT2AALDH1A1GAAMAPK1
SCHEMBL3015090 0.87 CTSS (0.42) CTSSF2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES NV REMYND (BE) 2010-08-05 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-20100197703-A1 N-SULFONYL THIAZOLYLPIPERAZINE DERIVATIVES AND RELATED N-SULFONYL HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES SMN1; SMN2, HTT, SNCA CTSS 106/4885MEN1 454/4885KMT2A 2680/4885

“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.