SCHEMBL3017112

SCHEMBL3017112

COc1cccc(-c2csc(N3CCC(S(=O)(=O)c4ccc(Br)cc4Cl)CC3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.54
HSD17B10 Q99714 4/20 0.54
USP2 O75604 1/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 11/20 0.52
LMNA P02545 9/20 0.52
MAPK1 P28482 6/20 0.52
TP53 P04637 3/20 0.52
TSHR P16473 1/20 0.52
HPGD P15428 1/20 0.51
KMT2A Q03164 9/20 0.50
MEN1 O00255 8/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HTT P42858 7/20 0.49
ALOX12 P18054 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46

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
SCHEMBL3016485 0.92 RAB9A (0.45) MAPTHSD17B10USP2RECQLALDH1A1
SCHEMBL3021714 0.91 MAPT (0.56) MAPTHSD17B10USP2RECQLALDH1A1
SCHEMBL3006890 0.91 SMN1; SMN2 (0.54) MAPTHSD17B10USP2RECQLALDH1A1
SCHEMBL3011005 0.90 SMN1; SMN2 (0.49) MAPTALDH1A1LMNAMAPK1HPGD
SCHEMBL3019881 0.90 MAPT (0.63) MAPTHSD17B10USP2RECQLALDH1A1
SCHEMBL3018528 0.90 MAPT (0.59) MAPTHSD17B10USP2RECQLALDH1A1
SCHEMBL3019369 0.89 MAPT (0.53) MAPTHSD17B10USP2RECQLALDH1A1
SCHEMBL3020095 0.89 SMN1; SMN2 (0.46) MAPTHSD17B10USP2RECQLALDH1A1
SCHEMBL3005743 0.88 RAB9A (0.50) MAPTHSD17B10ALDH1A1LMNAMAPK1
SCHEMBL15671701 0.87 MAPT (0.57) MAPTHSD17B10USP2RECQLALDH1A1

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 MAPT 18/4885HSD17B10 2553/4885USP2 1831/4885

“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.