SCHEMBL2447601

SCHEMBL2447601

C[C@@]1(c2ccc3cc(O)ccc3c2)COC(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
CA12 O43570 2/20 0.34
MCL1 Q07820 2/20 0.34
CA9 Q16790 2/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
DYRK1A Q13627 2/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 2/20 0.32
CLK1 P49759 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
HSD17B3 P37058 1/20 0.32
GAA P10253 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL2447605 1.00 HSP90AA1 (0.41) HSP90AA1CA12MCL1CA9MMP2
SCHEMBL2452583 0.82 LMNA (0.53) CA12CA9LMNACYP1A2KDM4E
SCHEMBL2452586 0.82 LMNA (0.53) CA12CA9LMNACYP1A2KDM4E
SCHEMBL2450163 0.79 ESR1 (0.39) KDM4EALDH1A1GAAESR1ESR2
SCHEMBL2456623 0.79 ESR1 (0.39) ESR1ESR2
SCHEMBL2456620 0.79 ESR1 (0.39) ESR1ESR2
SCHEMBL2446161 0.79 PTPN1 (0.31)
SCHEMBL2450166 0.79 ESR1 (0.39) KDM4EALDH1A1GAAESR1ESR2
SCHEMBL2455355 0.79 PTPN1 (0.31)
SCHEMBL2451915 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364088-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2014-04-16 EP disclosed
US-8546359-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-10-01 US disclosed
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2013-03-07 US disclosed
US-8269043-B2 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2012-09-18 US disclosed
EP-2364088-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP disclosed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 US disclosed
WO-2010051030-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 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-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 HSP90AA1 3876/4885CA12 4883/4885MCL1 1234/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 HSP90AA1 3206/4885CA12 4858/4885MCL1 2939/4885

“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.