SCHEMBL3000925

SCHEMBL3000925

COc1ccc(-c2csc(N3CCC(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)n2)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.47
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
MAPT P10636 7/20 0.42
RAB9A P51151 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
REV1 Q9UBZ9 1/20 0.42
USP2 O75604 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NR1I2 O75469 4/20 0.41
NPC1 O15118 3/20 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
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3021861 0.93 REV1 (0.49) ARMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL3020219 0.93 AR (0.52) ARCYP1A1CYP1B1MAPTRAB9A
SCHEMBL3017580 0.90 AR (0.49) ARCYP1A1CYP1B1MAPTRAB9A
SCHEMBL3019073 0.89 AR (0.48) ARCYP1A1CYP1B1MAPTRAB9A
SCHEMBL3016181 0.89 AR (0.58) ARCYP1A1CYP1B1MAPTRAB9A
SCHEMBL3014441 0.89 AR (0.48) ARCYP1A1CYP1B1MAPTRAB9A
SCHEMBL3017334 0.89 AR (0.48) ARCYP1A1CYP1B1MAPTRAB9A
SCHEMBL3006375 0.88 AR (0.49) ARCYP1A1CYP1B1MAPTRAB9A
SCHEMBL3001893 0.88 AR (0.45) ARMAPTRAB9ASMN1; SMN2MEN1
SCHEMBL3022472 0.87 AR (0.52) ARCYP1A1CYP1B1MAPTRAB9A

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.