SCHEMBL3017330

SCHEMBL3017330

COc1ccc(-c2csc(N3CCC(S(=O)(=O)c4ccc(Cl)cc4Cl)CC3)n2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.46
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
REV1 Q9UBZ9 1/20 0.41
MAPT P10636 10/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
NPC1 O15118 4/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 6/20 0.40
LMNA P02545 4/20 0.40
MAPK1 P28482 3/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL3017543 0.93 AR (0.50) ARCYP1A1CYP1B1RAB9ASMN1; SMN2
SCHEMBL3013756 0.93 AR (0.46) ARCYP1A1CYP1B1RAB9ASMN1; SMN2
SCHEMBL3013192 0.93 REV1 (0.49) ARRAB9ASMN1; SMN2REV1MAPT
SCHEMBL3010772 0.92 AR (0.47) ARCYP1A1CYP1B1RAB9ASMN1; SMN2
SCHEMBL3010824 0.92 AR (0.56) ARCYP1A1CYP1B1RAB9ASMN1; SMN2
SCHEMBL3008264 0.92 AR (0.45) ARCYP1A1CYP1B1RAB9ASMN1; SMN2
SCHEMBL3015406 0.90 AR (0.47) ARCYP1A1CYP1B1RAB9ASMN1; SMN2
SCHEMBL3022472 0.90 AR (0.52) ARCYP1A1CYP1B1RAB9ASMN1; SMN2
SCHEMBL3009932 0.90 AR (0.50) ARRAB9ASMN1; SMN2REV1MAPT
SCHEMBL3017808 0.90 AR (0.46) ARRAB9ASMN1; SMN2REV1MAPT

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 AR 3801/4885CYP1A1 4605/4885CYP1B1 4305/4885

“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.