SCHEMBL11941123

SCHEMBL11941123

Cc1cc(=O)oc2cc(NC[C@H]3CC[C@H](NS(=O)(=O)C(C)C)CC3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.50
▸ CA9 Q16790 5/20 0.50
▸ CA4 P22748 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ GAA P10253 4/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALB P02768 5/20 0.45
▸ MAOB P27338 1/20 0.45
▸ GLA P06280 3/20 0.45
▸ PKM P14618 2/20 0.45
▸ CA1 P00915 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ ERAP1 Q9NZ08 1/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ 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
SCHEMBL11935351 1.00 CA12 (0.50) CA12CA9CA4ALDH1A1KDM4E
SCHEMBL13564928 0.87 CA12 (0.51) CA12CA9CA4ALDH1A1KDM4E
SCHEMBL17090316 0.87 CA12 (0.51) CA12CA9CA4ALDH1A1KDM4E
SCHEMBL24589528 0.86 CA12 (0.65) CA12CA9CA4ALDH1A1KDM4E
SCHEMBL10114635 0.82 KDM4E (0.69) CA12CA9ALDH1A1KDM4EGAA
SCHEMBL10113951 0.82 KDM4E (0.69) CA12CA9ALDH1A1KDM4EGAA
SCHEMBL17090116 0.81 ALDH1A1 (0.45) CA12CA9ALDH1A1KDM4EGAA
SCHEMBL11936276 0.81 BRD4 (0.36) —
SCHEMBL13105212 0.80 CA12 (0.58) CA12CA9CA4ALDH1A1KDM4E
SCHEMBL11934761 0.80 CA12 (0.58) CA12CA9CA4ALDH1A1KDM4E

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-9139518-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-09-22 — — US disclosed
US-8299265-B2 Amine derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-10-30 — — US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 — — US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 — — 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-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R CA12 2605/4885CA9 1666/4885CA4 2851/4885

“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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