SCHEMBL3201671

SCHEMBL3201671

COc1ccc(N(Cc2cncs2)c2ccc(C(=O)OC(C)(C)C)cc2)cc1SC

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
BUB1 O43683 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 1/20 0.30
SLC6A3 Q01959 1/20 0.30
ACLY P53396 1/20 0.30

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
SCHEMBL3205143 0.90 ALDH1A1 (0.38) HDAC6TRPM8PARP15PARP10KMT2A
SCHEMBL3213634 0.88 CA12 (0.35) TRPM8PARP15PARP10KMT2AMEN1
SCHEMBL2908021 0.87 HTT (0.36) HDAC6TRPM8BUB1PARP15PARP10
SCHEMBL3205815 0.85 HRH4 (0.38) HDAC6TRPM8PARP15PARP10KMT2A
SCHEMBL3204089 0.85 TSHR (0.40) HDAC6TRPM8KDM4EHPGD
SCHEMBL3199311 0.85 RXRA (0.37) HDAC6TRPM8BUB1PARP15PARP10
SCHEMBL2901840 0.84 ALDH1A1 (0.35) HDAC6TRPM8BUB1KMT2AMEN1
SCHEMBL2908195 0.84 HDAC6 (0.34) HDAC6TRPM8BUB1PARP15PARP10
SCHEMBL3215114 0.84 HDAC6 (0.36) HDAC6PARP15PARP10KMT2AMEN1
SCHEMBL3129127 0.84 POLB (0.36) HDAC6KMT2AMEN1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 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-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE4B, PDE3B HDAC6 329/4885TRPM8 3474/4885BUB1 4365/4885

“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.