SCHEMBL12531858

SCHEMBL12531858

COC(=O)c1sc(C)cc1CCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PKM P14618 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL14390861 0.83 RAF1 (0.43) MAPTKMT2ATSHRHSD17B10L3MBTL1
SCHEMBL6593225 0.77 MAPT (0.44) MAPTKMT2ATSHRHSD17B10POLB
SCHEMBL28291594 0.77 MAPT (0.44) MAPTKMT2ATSHRHSD17B10PKM
SCHEMBL2027674 0.76 MAPT (0.47) MAPTKMT2ATSHRHSD17B10PKM
SCHEMBL7670938 0.74 TSHR (0.45) MAPTKMT2ATSHRHSD17B10L3MBTL1
SCHEMBL11888070 0.73 MAPT (0.44) MAPTKMT2ATSHRHSD17B10POLB
SCHEMBL12272176 0.73 HSD17B10 (0.44) MAPTKMT2ATSHRHSD17B10PKM
SCHEMBL8928555 0.73 MAPT (0.46) MAPTKMT2ATSHRHSD17B10L3MBTL1
SCHEMBL166726 0.73 MAPT (0.54) MAPTKMT2ATSHRHSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL10735502 0.71 MAPT (0.53) MAPTKMT2ATSHRHSD17B10ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763509-B1 ALPHA-HELICAL MIMETICS WALTER & ELIZA HALL INST MEDICAL RES (AU) 2018-02-21 EP disclosed
US-7956216-B2 Benzoyl urea derivatives mimicing BH3-only proteins, able to interact with a Bcl-2 protein THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2011-06-07 US disclosed
US-20080153802-A1 Alpha-helical mimetics THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2008-06-26 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 (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-20080153802-A1 Alpha-helical mimetics BID, BAX, BAD MAPT 781/4885KMT2A 2959/4885TSHR 4259/4885

“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.