SCHEMBL11300192

SCHEMBL11300192

CCCCCCCCc1ccc(CCC(C)(CO)CO)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNNC1 P63316 5/20 0.68
S1PR1 P21453 5/20 0.68
S1PR4 O95977 4/20 0.68
S1PR3 Q99500 4/20 0.68
S1PR5 Q9H228 2/20 0.68
SGPL1 O95470 1/20 0.68
GPR183 P32249 1/20 0.68
CERS2 Q96G23 1/20 0.68
SPHK2 Q9NRA0 3/20 0.60
SPHK1 Q9NYA1 1/20 0.57
ESR1 P03372 2/20 0.56
ADRA2A P08913 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
TACR2 P21452 2/20 0.56
SLC6A2 P23975 2/20 0.56
SLC6A4 P31645 2/20 0.56
SLC6A3 Q01959 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL15960546 1.00 TNNC1 (0.68) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL18885273 1.00 TNNC1 (0.68) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL13890905 0.88 SPHK2 (0.68) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL7622550 0.83 S1PR1 (0.73) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL5989142 0.83 S1PR1 (0.73) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL12696488 0.83 S1PR1 (0.73) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL7615757 0.83 S1PR1 (0.73) TNNC1S1PR1S1PR4S1PR3S1PR5
SCHEMBL177208 0.82 TNNC1 (0.68) TNNC1S1PR1S1PR4S1PR3S1PR5
Hydrochloric Acid SCHEMBL7615978 0.81 S1PR1 (0.74) TNNC1S1PR1S1PR4S1PR3S1PR5
Hydrochloric Acid SCHEMBL7619659 0.81 S1PR1 (0.74) TNNC1S1PR1S1PR4S1PR3S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815772-B2 Process for the preparation of 2-amino-1,3-propane diol compounds and salts thereof BIOCON LIMITED (IN) 2017-11-14 US disclosed
US-20170073305-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE CATABASIS PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-20150344430-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) CATABASIS PHARMACEUTICALS, INC. 2015-12-03 US disclosed
US-8766005-B2 Process for producing fingolimod salts RATIOPHARM GMBH (DE) 2014-07-01 US disclosed
US-20130059801-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
US-20120184617-A1 PROCESS FOR PRODUCING FINGOLIMOD SALTS RATIOPHARM GMBH (DE) 2012-07-19 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 (4 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-20120184617-A1 PROCESS FOR PRODUCING FINGOLIMOD SALTS S1PR4, S1PR2, S1PR3 TNNC1 4322/4885S1PR1 4/4885S1PR4 1/4885
US-20130059801-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE FASN, FADS1, ELOVL5 TNNC1 967/4885S1PR1 765/4885S1PR4 874/4885
US-20150344430-A1 METHODS OF LOWERING PROPROTEIN CONVERTASE SUBTILISIN/KEXIN TYPE 9 (PCSK9) PCSK9, PCSK6, PCSK7 TNNC1 2093/4885S1PR1 503/4885S1PR4 545/4885
US-20170073305-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE FASN, FADS1, ELOVL5 TNNC1 967/4885S1PR1 765/4885S1PR4 874/4885

“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.