SCHEMBL10114412

SCHEMBL10114412

CC(C)(C)S(=O)(=O)N[C@H]1CC[C@H](C(=O)Nc2ccc3oc(=O)ccc3c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.48
▸ KDM4E B2RXH2 7/20 0.48
▸ NPY5R Q15761 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ GAA P10253 2/20 0.46
▸ NPC1 O15118 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ CA9 Q16790 4/20 0.43
▸ CA12 O43570 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SNCA P37840 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ACHE P22303 2/20 0.41

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
SCHEMBL10133360 1.00 ALDH1A1 (0.48) ALDH1A1KDM4ENPY5RSMN1; SMN2GAA
SCHEMBL13840465 0.86 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2GAANPC1
SCHEMBL12882889 0.86 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2GAANPC1
SCHEMBL13204259 0.85 NPY5R (0.48) ALDH1A1KDM4ENPY5RSMN1; SMN2GAA
SCHEMBL10114644 0.85 NPY5R (0.48) ALDH1A1KDM4ENPY5RSMN1; SMN2GAA
SCHEMBL10134437 0.84 NPY5R (0.44) ALDH1A1KDM4ENPY5RSMN1; SMN2GAA
SCHEMBL10114398 0.84 NPY5R (0.44) ALDH1A1KDM4ENPY5RSMN1; SMN2GAA
SCHEMBL10114421 0.84 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2GAANPC1
SCHEMBL13203715 0.83 KDM4E (0.70) ALDH1A1KDM4ESMN1; SMN2GAANPC1
SCHEMBL10113096 0.83 KDM4E (0.70) ALDH1A1KDM4ESMN1; SMN2GAANPC1

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-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-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

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 ALDH1A1 4558/4885KDM4E 1668/4885NPY5R 1/4885
US-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R ALDH1A1 4599/4885KDM4E 1627/4885NPY5R 1/4885

“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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