SCHEMBL3016058

SCHEMBL3016058

COc1ccc(Cl)cc1S(=O)(=O)C1CCN(c2nc(Cc3c(C)cccc3C)cs2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.38
TP53 P04637 3/20 0.38
CPT1A P50416 5/20 0.38
HTR7 P34969 1/20 0.38
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
CPT1B Q92523 4/20 0.36
F2 P00734 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
CPT2 P23786 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL3007436 0.93 MAPK1 (0.39) MAPK1HTTTP53CPT1ARAB9A
SCHEMBL3016060 0.92 RAB9A (0.38) MAPK1HTTTP53CPT1AHTR7
SCHEMBL3007050 0.92 MAPK1 (0.39) MAPK1HTTTP53CPT1AHTR7
SCHEMBL3020441 0.91 ALDH1A1 (0.46) HTTTP53RAB9AALDH1A1HPGD
SCHEMBL3015964 0.90 GAA (0.39) HTTALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3011124 0.90 SMN1; SMN2 (0.37) HTTRAB9AALDH1A1KDM4EPOLB
SCHEMBL3022242 0.88 MAPK1 (0.38) MAPK1HTTTP53CPT1AHTR7
SCHEMBL3018934 0.88 DRD2 (0.40) MAPK1HTTTP53CPT1AHTR7
SCHEMBL3007108 0.88 TDP1 (0.42) MAPK1HTTTP53CPT1ARAB9A
SCHEMBL3006331 0.88 TP53 (0.40) MAPK1HTTTP53CPT1AHTR7

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 MAPK1 2767/4885HTT 2/4885TP53 2880/4885

“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.