SCHEMBL13840445

SCHEMBL13840445

CCS(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc3c(c2)c2c(n3C(C)C)CCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 5/20 0.45
▸ PTGDR2 Q9Y5Y4 4/20 0.45
▸ RORC P51449 1/20 0.42
▸ JAK1 P23458 2/20 0.41
▸ P2RX3 P56373 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ NPY5R Q15761 1/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL13840449 0.76 NPY5R (0.46) PTGDR2RORCP2RX3NPY5RMEN1
SCHEMBL13840442 0.74 MAPT (0.62) RORCMAPTNPY5RNPSR1MEN1
SCHEMBL6753270 0.69 PTGDR2 (0.47) PTGDR2RORCP2RX3MAPTNPY5R
SCHEMBL13840444 0.68 KMT2A (0.43) JAK1MAPTNPSR1MEN1GAA
SCHEMBL10113929 0.68 MAPT (0.59) RORCMAPTNPY5RNPSR1MEN1
SCHEMBL13840440 0.67 KMT2A (0.43) JAK1MAPTNPSR1MEN1GAA
SCHEMBL13484159 0.66 MAPT (0.50) JAK1MAPTNPSR1MEN1GAA
SCHEMBL2601692 0.66 TP53 (0.40) GNRHRMAPT
SCHEMBL13840446 0.66 MEN1 (0.44) JAK1MAPTNPSR1MEN1GAA
SCHEMBL10114873 0.66 NPC1 (0.48) RORCMAPTNPSR1MEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534892-B2 Sulfonamide compound SHIONOGI & CO., LTD. (JP) 2009-05-19 — — US disclosed
US-7534892-B2 Sulfonamide compound SHIONOGI & CO., LTD. (JP) 2009-05-19 — — US disclosed
US-20070287710-A1 Piperidinediyl-containing sulfonamide; NPY Y5 receptor antagonist activity; antiobesity agent or anorectic agent SHIONOGI & CO., LTD. (JP) 2007-12-13 — — US disclosed
US-20070287710-A1 Piperidinediyl-containing sulfonamide; NPY Y5 receptor antagonist activity; antiobesity agent or anorectic agent SHIONOGI & CO., LTD. (JP) 2007-12-13 — — 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-20070287710-A1 Piperidinediyl-containing sulfonamide; NPY Y5 receptor antagonist activity; antiobesity agent or anorectic agent NPY5R, NPY1R, NPY2R GNRHR 55/4885PTGDR2 314/4885RORC 1670/4885

“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.

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