SCHEMBL904016

SCHEMBL904016

NC(CO)(CO)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.58
TNNC1 P63316 6/20 0.58
S1PR3 Q99500 5/20 0.58
S1PR4 O95977 2/20 0.58
S1PR5 Q9H228 2/20 0.58
SGPL1 O95470 1/20 0.58
GPR183 P32249 1/20 0.58
CERS2 Q96G23 1/20 0.58
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.50
SPHK2 Q9NRA0 2/20 0.45
SPHK1 Q9NYA1 1/20 0.45
CYP2A6 P11509 1/20 0.44
HTR2A P28223 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
GRM2 Q14416 1/20 0.44
GRM3 Q14832 1/20 0.44

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
Hydrochloric Acid SCHEMBL8497906 0.98 S1PR1 (0.59) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL16202272 0.92 S1PR1 (0.59) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL6529404 0.88 S1PR1 (0.59) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8496127 0.88 TNNC1 (0.54) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8498023 0.86 TNNC1 (0.57) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8497060 0.84 TNNC1 (0.60) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8496561 0.84 TNNC1 (0.60) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8498534 0.84 TNNC1 (0.60) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8497058 0.84 TNNC1 (0.60) S1PR1TNNC1S1PR3S1PR4S1PR5
SCHEMBL8495964 0.84 TNNC1 (0.60) S1PR1TNNC1S1PR3S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US claimed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US claimed
US-20220135666-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR GLAS USA LLC 2022-05-05 US disclosed
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds THE UNIVERSITY OF TOLEDO (US) 2020-12-15 US disclosed
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds THE UNIVERSITY OF TOLEDO (US) 2019-06-20 US disclosed
US-20170333368-A1 Paediatric Compositions For Treating Multiple Sclerosis NOVARTIS AG (CH) 2017-11-23 US disclosed
EP-2356090-B1 CRYSTALLINE FORMS OF FINGOLIMOD HCL NOVARTIS AG (CH) 2017-07-05 EP disclosed
US-20170128389-A1 Paediatric Compositions For Treating Multiple Sclerosis NOVARTIS AG (CH) 2017-05-11 US disclosed
US-20160206574-A1 Paediatric Compositions For Treating Multiple Sclerosis NOVARTIS AG (CH) 2016-07-21 US disclosed
EP-3011958-A1 PAEDIATRIC COMPOSITIONS FOR TREATING MULTIPLE SCLEROSIS Novartis AG (CH) 2016-04-27 EP disclosed
US-20160022611-A1 Paediatric Compositions For Treating Multiple Sclerosis KOVARIK JOHN M (CH) 2016-01-28 US disclosed
US-8680146-B2 Organic compounds NOVARTIS AG (CH) 2014-03-25 US disclosed
US-20140051766-A1 Organic Compounds NOVARTIS AG (CH) 2014-02-20 US disclosed
US-8530522-B2 Organic compounds NOVARTIS AG (CH) 2013-09-10 US disclosed
US-20130230489-A1 Paediatric Compositions For Treating Multiple Sclerosis KOVARIK JOHN M (CH) 2013-09-05 US disclosed
WO-2012041359-A1 PROCESS FOR MAKING FINGOLIMOD SYNTHON B.V. (NL) 2012-04-05 WO disclosed
WO-2012041358-A1 PROCESS FOR MAKING FINGOLIMOD HYDROCHLORIDE CRYSTALS SYNTHON B.V. (NL) 2012-04-05 WO disclosed
US-20070135450-A1 Compounds and Methods of Treating Insulin Resistance and Cardiomyopathy FORBES MEDI-TECH (RESEARCH), INC. (US) 2007-06-14 US disclosed
US-7189748-B2 Compounds and methods for treating insulin resistance and cardiomyopathy FORBES MEDI-TECH (RESEARCH), INC. (US) 2007-03-13 US disclosed
US-7169817-B2 Bis-aromatic alkanols IRM LLC (BM) 2007-01-30 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 (10 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-20130230489-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, MYT1 S1PR1 22/4885TNNC1 3070/4885S1PR3 16/4885
US-20160206574-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR S1PR1 25/4885TNNC1 2959/4885S1PR3 17/4885
US-20190185392-A1 Carbon Dioxide as a Directing Group for C-H Functionalization Reactions Involving Lewis Basic Amines, Alcohols, Thiols, and Phosphines for the Synthesis of Compounds CHKB, HRH3, PNMT S1PR1 1464/4885TNNC1 4419/4885S1PR3 1045/4885
US-20160022611-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR S1PR1 25/4885TNNC1 2959/4885S1PR3 17/4885
US-20140051766-A1 Organic Compounds SSB, HLA-DRB1, AQP4 S1PR1 1172/4885TNNC1 4618/4885S1PR3 940/4885
US-20170333368-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR S1PR1 25/4885TNNC1 2963/4885S1PR3 14/4885
US-20220135666-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR S1PR2, S1PR1, S1PR4 S1PR1 2/4885TNNC1 3515/4885S1PR3 5/4885
US-10865163-B2 Carbon dioxide as a directing group for C—H functionalization reactions involving Lewis basic amines, alcohols, thiols, and phosphines for the synthesis of compounds CHKB, HRH3, PNMT S1PR1 1616/4885TNNC1 4403/4885S1PR3 1171/4885
US-20170128389-A1 Paediatric Compositions For Treating Multiple Sclerosis SMN1; SMN2, PMP22, CFTR S1PR1 25/4885TNNC1 2959/4885S1PR3 17/4885
US-20070135450-A1 Compounds and Methods of Treating Insulin Resistance and Cardiomyopathy CPT1A, CPT1B, PNLIP S1PR1 161/4885TNNC1 49/4885S1PR3 282/4885

“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.