SCHEMBL16471654

SCHEMBL16471654

CC(=O)c1cc(OCCCCO)cc(OS(C)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ PLA2G2A P14555 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CNR1 P21554 2/20 0.34
▸ CNR2 P34972 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ F11 P03951 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GCK P35557 1/20 0.34
▸ STS P08842 1/20 0.33
▸ BLM P54132 1/20 0.33

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
SCHEMBL16471652 0.88 L3MBTL1 (0.56) L3MBTL1GAAPLA2G2AALDH1A1MAPT
SCHEMBL17531343 0.83 L3MBTL1 (0.53) L3MBTL1GAAPLA2G2AALDH1A1MAPT
SCHEMBL16471653 0.79 L3MBTL1 (0.50) L3MBTL1GAAPLA2G2AALDH1A1MAPT
SCHEMBL16471657 0.79 L3MBTL1 (0.50) L3MBTL1GAAPLA2G2AALDH1A1MAPT
SCHEMBL16471651 0.78 L3MBTL1 (0.49) L3MBTL1GAAPLA2G2AALDH1A1MAPT
SCHEMBL1204388 0.75 L3MBTL1 (0.46) L3MBTL1GAAPLA2G2AALDH1A1MAPT
SCHEMBL11387851 0.75 PLA2G2A (0.72) L3MBTL1GAAPLA2G2AKMT2ABLM
SCHEMBL29294212 0.74 PLA2G2A (0.49) L3MBTL1GAAPLA2G2AALDH1A1MAPT
SCHEMBL10498963 0.73 PLA2G2A (0.75) L3MBTL1GAAPLA2G2ACNR1CNR2
SCHEMBL9402858 0.73 PLA2G2A (0.75) L3MBTL1GAAPLA2G2ACNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556159-B2 Renin inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-31 — — US disclosed
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-05-26 — — US disclosed
US-9278944-B2 Nitrogen-containing saturated heterocyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-03-08 — — US disclosed
US-20150232459-A1 NOVEL RENIN INHIBITOR SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-08-20 — — US disclosed
US-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2014-01-09 — — 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 (3 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-20140011807-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 L3MBTL1 3732/4885GAA 3183/4885PLA2G2A 4337/4885
US-20150232459-A1 NOVEL RENIN INHIBITOR REN, AGTR1, ACE L3MBTL1 4668/4885GAA 1408/4885PLA2G2A 2495/4885
US-20160145220-A1 NITROGEN-CONTAINING SATURATED HETEROCYCLIC COMPOUND REN, AGTR1, AGTR2 L3MBTL1 3732/4885GAA 3183/4885PLA2G2A 4337/4885

“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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