SCHEMBL3012134

SCHEMBL3012134

Cc1ccc(C)c(-c2csc(N3CCC(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.55
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 2/20 0.44
RELA Q04206 2/20 0.44
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
GBA1 P04062 1/20 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
SCHEMBL3017165 0.92 AR (0.61) ARNFKB1NFKB2RELARAF1
SCHEMBL3017933 0.89 AR (0.57) ARNFKB1NFKB2RELARAF1
SCHEMBL3013940 0.89 AR (0.57) ARNFKB1NFKB2RELARAF1
SCHEMBL3017324 0.89 AR (0.57) ARNFKB1NFKB2RELARAF1
SCHEMBL2998044 0.89 SMN1; SMN2 (0.43) ARRAF1BRAFSMN1; SMN2ALDH1A1
SCHEMBL3006648 0.87 AR (0.55) ARNFKB1NFKB2RELASMN1; SMN2
SCHEMBL3013667 0.87 SMN1; SMN2 (0.41) ARRAF1BRAFSMN1; SMN2ALDH1A1
SCHEMBL3014465 0.86 SMN1; SMN2 (0.55) ARSMN1; SMN2ALDH1A1CYP1A2POLB
SCHEMBL3011910 0.86 AR (0.54) ARNFKB1NFKB2RELARAF1
SCHEMBL3000174 0.86 AR (0.54) ARNFKB1NFKB2RELARAF1

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 3801/4885NFKB1 1767/4885NFKB2 2341/4885

“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.