SCHEMBL2452583

SCHEMBL2452583

COc1ccc2cc([C@]3(C)COC(=O)N3)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
CYP2A6 P11509 2/20 0.40
GSTP1 P09211 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CA12 O43570 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.38
CA3 P07451 1/20 0.38
AKR1B1 P15121 1/20 0.38
HPGD P15428 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL2452586 1.00 LMNA (0.53) LMNACYP2A6GSTP1MEN1KMT2A
SCHEMBL2776596 0.85 LMNA (0.40) LMNACYP2A6TSHRKDM4EALDH1A1
SCHEMBL2776591 0.82 MGLL (0.38) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL2776594 0.82 MGLL (0.38) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL2779946 0.82 MGLL (0.38) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL2447605 0.82 HSP90AA1 (0.41) LMNAMEN1KMT2ATSHRKDM4E
SCHEMBL2447601 0.82 HSP90AA1 (0.41) LMNAMEN1KMT2ATSHRKDM4E
SCHEMBL2454532 0.81 LMNA (0.36) LMNATSHRPOLBMAPK1
SCHEMBL2454529 0.81 LMNA (0.36) LMNATSHRPOLBMAPK1
SCHEMBL2453988 0.81 HSD11B1 (0.41) LMNACA1

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 LMNA 3016/4885CYP2A6 3450/4885GSTP1 4313/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 LMNA 2435/4885CYP2A6 4394/4885GSTP1 4493/4885

“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.