SCHEMBL2777600

SCHEMBL2777600

CCC(C)(C)[C@H]1CC[C@H](O)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HTT P42858 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
CNR2 P34972 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL1162181 1.00 SHBG (0.39) SHBGKDM4EGAAALDH1A1MAPT
SCHEMBL1153388 1.00 SHBG (0.39) SHBGKDM4EGAAALDH1A1MAPT
SCHEMBL2151480 0.87
SCHEMBL19242729 0.86 CNR2 (0.35) SHBGKDM4ELMNACNR2
SCHEMBL26109640 0.80 SHBG (0.34) SHBGTSHR
SCHEMBL14527695 0.80 KDM4E (0.39) KDM4EGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL11458812 0.80 SHBG (0.39) SHBGTSHR
SCHEMBL9815775 0.80 SHBG (0.39) SHBGTSHR
SCHEMBL25910486 0.79 KDM4E (0.37) KDM4EGAAALDH1A1MAPTSMN1; SMN2
SCHEMBL8708681 0.78 SHBG (0.33) SHBG

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894040-B2 S1P modulating agents BIOGEN MA INC. (US) 2021-01-19 US disclosed
EP-3660010-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2020-06-03 EP disclosed
EP-3660010-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2020-06-03 EP disclosed
US-20200038385-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2020-02-06 US disclosed
US-20200038385-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2020-02-06 US disclosed
EP-3150590-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2019-10-16 EP disclosed
US-10406144-B2 SIP modulating agents BIOGEN MA INC. (US) 2019-09-10 US disclosed
US-10406144-B2 SIP modulating agents BIOGEN MA INC. (US) 2019-09-10 US disclosed
US-20180369215-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. 2018-12-27 US disclosed
US-10034869-B2 S1P modulating agents BIOGEN MA INC. (US) 2018-07-31 US disclosed
US-20140371209-A1 S1P Modulating Agents BIOGEN MA INC. 2014-12-18 US disclosed
US-20140371209-A1 S1P Modulating Agents BIOGEN MA INC. 2014-12-18 US disclosed
EP-2364088-B1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC INC (US) 2014-04-16 EP disclosed
EP-2672823-A1 S1P MODULATING AGENTS Biogen Idec MA Inc. (US) 2013-12-18 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
WO-2012109108-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2012-08-16 WO disclosed
WO-2012109108-A1 S1P MODULATING AGENTS BIOGEN IDEC MA INC. (US) 2012-08-16 WO disclosed
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2010-06-24 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 (8 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-20200038385-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 SHBG 854/4885KDM4E 3037/4885GAA 4680/4885
US-20100160258-A1 Bicyclic aryl sphingosine 1-phosphate analogs S1PR1, S1PR3, S1PR4 SHBG 3153/4885KDM4E 3227/4885GAA 4424/4885
US-20140371209-A1 S1P Modulating Agents S1PR2, S1PR1, S1PR3 SHBG 1735/4885KDM4E 3804/4885GAA 4589/4885
US-10034869-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 SHBG 2141/4885KDM4E 2515/4885GAA 4016/4885
US-20130059821-A1 BICYCLIC ARYL SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR3 SHBG 4144/4885KDM4E 4283/4885GAA 4084/4885
US-10406144-B2 SIP modulating agents S1PR2, S1PR1, S1PR3 SHBG 2117/4885KDM4E 3487/4885GAA 4153/4885
US-10894040-B2 S1P modulating agents S1PR2, S1PR1, S1PR3 SHBG 2076/4885KDM4E 2656/4885GAA 4018/4885
US-20180369215-A1 S1P MODULATING AGENTS S1PR2, S1PR1, S1PR3 SHBG 854/4885KDM4E 3037/4885GAA 4680/4885

“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.