SCHEMBL17286557

SCHEMBL17286557

CC(C)C(=O)NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.52
SLC1A3 P43003 1/20 0.51
SLC1A2 P43004 1/20 0.51
SLC1A1 P43005 1/20 0.51
F2 P00734 2/20 0.50
PRSS1 P07477 2/20 0.50
PRSS2 P07478 2/20 0.50
PRSS3 P35030 2/20 0.50
TSHR P16473 1/20 0.50
P4HTM Q9NXG6 1/20 0.49
ALDH1A1 P00352 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NPY5R Q15761 1/20 0.45
HTT P42858 1/20 0.45
EDNRB P24530 1/20 0.45
EDNRA P25101 1/20 0.45
PFKFB3 Q16875 1/20 0.45
SLC6A9 P48067 1/20 0.44

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
SCHEMBL18019183 0.82 LARS1 (0.64) HCRTR1SLC1A3SLC1A2SLC1A1F2
SCHEMBL208918 0.82 HCRTR1 (0.56) HCRTR1SLC1A3SLC1A2SLC1A1F2
SCHEMBL20446636 0.80 F2 (0.55) HCRTR1SLC1A3SLC1A2SLC1A1F2
SCHEMBL9180166 0.80 TSHR (0.59) HCRTR1SLC1A3SLC1A2SLC1A1F2
SCHEMBL6850548 0.79 HCRTR1 (0.54) HCRTR1SLC1A3SLC1A2SLC1A1F2
SCHEMBL208917 0.79 F2 (0.54) HCRTR1SLC1A3SLC1A2SLC1A1F2
SCHEMBL1756801 0.79 F2 (0.54) HCRTR1SLC1A3SLC1A2SLC1A1F2
SCHEMBL1756802 0.79 F2 (0.62) HCRTR1SLC1A3SLC1A2SLC1A1F2
SCHEMBL17286574 0.79 ALDH1A1 (0.50) SLC1A3SLC1A2SLC1A1ALDH1A1CA1
SCHEMBL3698223 0.78 HCRTR1 (0.58) HCRTR1SLC1A3SLC1A2SLC1A1F2

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-10844032-B2 Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2020-11-24 US disclosed
US-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY (US) 2015-11-26 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 (2 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-20150336925-A1 SUBSTITUTED BENZOFURAN, BENZOTHIOPHENE AND INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCLAF1 HCRTR1 2300/4885SLC1A3 3025/4885SLC1A2 2679/4885
US-10844032-B2 Substituted benzofuran, benzothiophene and indole Mcl-1 inhibitors MCL1, BCL2L1, BCLAF1 HCRTR1 2300/4885SLC1A3 3025/4885SLC1A2 2679/4885

“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.