SCHEMBL10113608

SCHEMBL10113608

COC(=O)Cc1csc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.53
▸ GAA P10253 2/20 0.51
▸ PDE5A O76074 2/20 0.50
▸ ALDH1A1 P00352 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CTPS1 P17812 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PDE1A P54750 1/20 0.44
▸ PDE1B Q01064 1/20 0.44
▸ PDE1C Q14123 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL17089977 0.86 ALDH1A1 (0.46) POLBALDH1A1SMN1; SMN2MEN1CYP2C9
SCHEMBL10113884 0.85 POLB (0.53) POLBGAAPDE5AALDH1A1SMN1; SMN2
SCHEMBL10113479 0.82 ALDH1A1 (0.50) POLBALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL10113524 0.73 HDAC6 (0.55) ALDH1A1MEN1KMT2AHDAC6MAPT
SCHEMBL6877987 0.73 GAA (0.59) POLBGAAALDH1A1SMN1; SMN2MEN1
SCHEMBL10113322 0.72 MEN1 (0.48) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL13203857 0.72 MEN1 (0.48) POLBALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10113575 0.72 ALDH1A1 (0.47) POLBALDH1A1SMN1; SMN2KMT2ACTPS1
SCHEMBL11019452 0.71 POLB (0.53) POLBGAAPDE5AALDH1A1MEN1
SCHEMBL4968797 0.71 SMN1; SMN2 (0.65) POLBGAAALDH1A1SMN1; SMN2MEN1

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-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 — — US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 — — US disclosed
US-7781461-B2 NPY Y5 antagonist KAWANISHI YASUYUKI 2010-08-24 — — US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — US disclosed
US-20070015762-A1 NPY Y5 antagonist KAWANISHI YASUYUKI 2007-01-18 — — 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 (2 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-20070015762-A1 NPY Y5 antagonist NPY5R, NPY1R, NPY2R POLB 4727/4885GAA 3448/4885PDE5A 971/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R POLB 4751/4885GAA 3316/4885PDE5A 841/4885

“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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