SCHEMBL2443034

SCHEMBL2443034

CCCCCCCCc1ccc2nc(Br)sc2c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 9/20 0.51
SENP8 Q96LD8 9/20 0.51
SENP7 Q9BQF6 9/20 0.51
SENP6 Q9GZR1 9/20 0.51
PCSK9 Q8NBP7 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TLR8 Q9NR97 5/20 0.45
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42

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
SCHEMBL14835983 0.94 CASP3 (0.56) CASP3SENP8SENP7SENP6PCSK9
SCHEMBL9304665 0.88 TLR8 (0.45) CASP3SENP8SENP7SENP6NPC1
SCHEMBL5946928 0.86 CASP3 (0.46) CASP3SENP8SENP7SENP6PCSK9
SCHEMBL22926235 0.85 SMN1; SMN2 (0.49) CASP3SENP8SENP7SENP6PCSK9
SCHEMBL5545673 0.84 CASP3 (0.47) CASP3SENP8SENP7SENP6PCSK9
SCHEMBL8500947 0.84 RAB9A (0.68) CASP3SENP8SENP7SENP6NPC1
SCHEMBL10383965 0.84 CASP3 (0.45) CASP3SENP8SENP7SENP6PCSK9
SCHEMBL5946675 0.84 RAB9A (0.68) CASP3SENP8SENP7SENP6NPC1
SCHEMBL2445933 0.84 RAB9A (0.68) CASP3SENP8SENP7SENP6NPC1
SCHEMBL14859131 0.84 CASP3 (0.45) CASP3SENP8SENP7SENP6PCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2018-09-25 US disclosed
US-20180002356-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-01-04 US disclosed
US-9708353-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-07-18 US disclosed
EP-2364089-B1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC (US) 2016-12-07 EP disclosed
US-9181191-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2015-11-10 US disclosed
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2015-08-20 US disclosed
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. 2014-04-10 US disclosed
US-8349849-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-01-08 US disclosed
EP-2364089-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP disclosed
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. 2010-06-24 US disclosed
WO-2010051031-A1 HETEROBICYCLIC 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 (5 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-20180002356-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 CASP3 3599/4885SENP8 4430/4885SENP7 4248/4885
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 CASP3 3599/4885SENP8 4430/4885SENP7 4248/4885
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 CASP3 3599/4885SENP8 4430/4885SENP7 4248/4885
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 CASP3 3599/4885SENP8 4430/4885SENP7 4248/4885
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 CASP3 3599/4885SENP8 4430/4885SENP7 4248/4885

“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.