SCHEMBL3125823

SCHEMBL3125823

CCOc1ccc(N(Cc2cncs2)c2ccc(C(=O)O)cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.43
RXRA P19793 7/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HRH4 Q9H3N8 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
HPGD P15428 1/20 0.39
MCHR1 Q99705 2/20 0.38
PPARG P37231 1/20 0.38
HTT P42858 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
TPMT P51580 1/20 0.38
CA9 Q16790 1/20 0.38

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
SCHEMBL3215147 0.96 TSHR (0.46) TSHRMAPK1RXRARXRBRXRG
SCHEMBL3192272 0.95 RXRA (0.43) TSHRRXRARXRBRXRGL3MBTL1
SCHEMBL3211820 0.93 CA12 (0.45) TSHRRXRARXRBRXRGHPGD
SCHEMBL3123721 0.91 TSHR (0.49) TSHRMAPK1HRH4TRPM8MCHR1
SCHEMBL13486247 0.89 RXRA (0.53) TSHRRXRARXRBRXRGHRH4
SCHEMBL3204089 0.88 TSHR (0.40) TSHRMAPK1L3MBTL1HRH4TRPM8
SCHEMBL3213511 0.87 RXRA (0.53) RXRARXRBRXRGHRH4TRPM8
SCHEMBL7945335 0.87 HTT (0.47) TSHRRXRARXRBRXRGHTT
SCHEMBL3125660 0.87 RXRA (0.42) TSHRMAPK1RXRARXRBRXRG
SCHEMBL3125356 0.86 RXRA (0.39) TSHRMAPK1RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US claimed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO claimed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
US-20100029689-A1 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-02-04 US disclosed
WO-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO 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 TSHR 1908/4885MAPK1 1371/4885RXRA 2856/4885

“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.