SCHEMBL3213634

SCHEMBL3213634

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA7 P43166 1/20 0.35
TPMT P51580 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
RXRA P19793 3/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
TSHR P16473 1/20 0.34
AR P10275 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 3/20 0.33
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL3211820 0.89 CA12 (0.45) CA12CA1CA2CA4CA6
SCHEMBL3201671 0.88 HDAC6 (0.32) KMT2AMEN1LMNAPARP15PARP10
SCHEMBL2902512 0.86 LMNA (0.48) CA12CA1CA2CA4CA6
SCHEMBL7945335 0.85 HTT (0.47) RXRARXRBRXRGTSHRKMT2A
SCHEMBL3215147 0.84 TSHR (0.46) CA12CA1CA2CA4CA6
SCHEMBL3125823 0.84 TSHR (0.52) CA12CA1CA2CA4CA6
SCHEMBL3216019 0.83 RXRA (0.49) CA12CA1CA2CA4CA6
SCHEMBL3125356 0.82 RXRA (0.39) CA12CA1CA2CA4CA6
SCHEMBL3131039 0.82 RXRA (0.39) CA12CA1CA2CA4CA6
SCHEMBL2908361 0.82 MKNK1 (0.41) CA12CA1CA2CA4CA6

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 CA12 4552/4885CA1 3929/4885CA2 1319/4885

“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.