SCHEMBL2553625

SCHEMBL2553625

Cc1ccc(COc2ccc(B(O)O)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 4/20 0.58
▸ CA2 P00918 2/20 0.57
▸ LPL P06858 2/20 0.57
▸ LIPG Q9Y5X9 2/20 0.57
▸ PARP10 Q53GL7 1/20 0.57
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ CASP3 P42574 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ SENP8 Q96LD8 1/20 0.55
▸ SENP7 Q9BQF6 1/20 0.55
▸ SENP6 Q9GZR1 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ HRH3 Q9Y5N1 2/20 0.50
▸ ENPP2 Q13822 2/20 0.48
▸ CA1 P00915 1/20 0.47
▸ FFAR1 O14842 2/20 0.46
▸ APP P05067 1/20 0.46

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
SCHEMBL16687435 1.00 MAOB (0.58) MAOBCA2LPLLIPGPARP10
SCHEMBL12420267 0.91 APP (0.54) CA2LPLLIPGPARP10ENPP2
SCHEMBL12270437 0.88 MAOB (0.57) MAOBPARP10NPC1RAB9ACASP3
SCHEMBL2556148 0.86 LPL (0.68) CA2LPLLIPGNPC1RAB9A
SCHEMBL2557358 0.86 ENPP2 (0.68) MAOBCA2NPC1RAB9ASMN1; SMN2
SCHEMBL1982099 0.86 ENPP2 (0.68) MAOBCA2NPC1RAB9ASMN1; SMN2
SCHEMBL8930213 0.84 MAOB (0.69) MAOBPARP10NPC1RAB9ACASP3
SCHEMBL8929713 0.84 MAOB (0.69) MAOBPARP10NPC1RAB9ACASP3
SCHEMBL891195 0.84 MAOB (0.69) MAOBPARP10NPC1RAB9ACASP3
SCHEMBL762195 0.84 MAOB (0.69) MAOBPARP10NPC1RAB9ACASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
CN-108368107-B Fused heterocyclic compounds as S1P modulators 艾伯维公司 2021-11-26 — — CN disclosed
US-10556907-B2 Fused heterocyclic compounds as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-11 — — US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 — — EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 — — EP disclosed
US-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS AbbVie Deutschland GmbH & Co. KG (DE) 2017-03-02 — — US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 — — US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 — — EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 — — WO 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-20170057966-A1 FUSED HETEROCYCLIC COMPOUNDS AS S1P MODULATORS S1PR1, S1PR2, S1PR3 MAOB 3377/4885CA2 4671/4885LPL 448/4885
US-10556907-B2 Fused heterocyclic compounds as S1P modulators S1PR1, S1PR2, S1PR3 MAOB 3377/4885CA2 4671/4885LPL 448/4885

“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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