SCHEMBL13953201

SCHEMBL13953201

CCCCCCC(C)c1ccc(CCC(N)(CO)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.48
S1PR3 Q99500 10/20 0.48
S1PR4 O95977 9/20 0.48
S1PR5 Q9H228 6/20 0.48
TNNC1 P63316 5/20 0.48
SGPL1 O95470 1/20 0.48
GPR183 P32249 1/20 0.48
CERS2 Q96G23 1/20 0.48
SPHK2 Q9NRA0 3/20 0.44
S1PR2 O95136 7/20 0.44
SPHK1 Q9NYA1 1/20 0.43
ENPP2 Q13822 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
SCHEMBL13932736 0.85 S1PR1 (0.66) S1PR1S1PR3S1PR4S1PR5TNNC1
SCHEMBL12314891 0.84 S1PR1 (0.69) S1PR1S1PR3S1PR4S1PR5TNNC1
SCHEMBL13953372 0.83 S1PR1 (0.41) S1PR1S1PR3S1PR4S1PR5TNNC1
SCHEMBL2632240 0.82 MEN1 (0.42) S1PR1S1PR3S1PR4S1PR5TNNC1
SCHEMBL13932767 0.78 S1PR1 (0.67) S1PR1S1PR3S1PR4S1PR5TNNC1
SCHEMBL2632242 0.78 S1PR1 (0.67) S1PR1S1PR3S1PR4S1PR5TNNC1
SCHEMBL12946044 0.78 TNNC1 (0.44) S1PR1S1PR3S1PR4S1PR5TNNC1
SCHEMBL12601546 0.76 S1PR1 (0.58) S1PR1S1PR3S1PR4S1PR5TNNC1
SCHEMBL14177424 0.76 S1PR1 (0.76) S1PR1S1PR3S1PR4S1PR5S1PR2
SCHEMBL13953003 0.75 GPR84 (0.45) S1PR1S1PR3S1PR4S1PR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042772-A1 COMPOUNDS AND METHODS OF TREATING INSULIN RESISTANCE AND CARDIOMYOPATHY TRANSITION THERAPEUTICS INC. (CA) 2009-02-12 US disclosed
WO-2008083280-A1 COMPOUNDS AND METHODS OF TREATING INSULIN RESISTANCE AND CARDIOMYOPATHY TRANSITION THERAPEUTICS INC. (CA) 2008-07-10 WO disclosed
US-20080139455-A1 COMPOUNDS AND METHODS OF TREATING METABOLIC SYNDROME AND INFLAMMATION FORBES MEDI-TECH (RESEARCH), INC. (US) 2008-06-12 US disclosed
US-20080096799-A1 COMPOUNDS FOR AND METHODS OF TREATING INSULIN RESISTANCE AND INFLAMMATION FORBES MEDI-TECH (RESEARCH), INC. (US) 2008-04-24 US disclosed
WO-2008046071-A2 COMPOUNDS AND METHODS OF TREATING METABOLIC SYNDROME AND INFLAMMATION TRANSITION THERAPEUTICS INC. (CA) 2008-04-17 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 (3 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-20080096799-A1 COMPOUNDS FOR AND METHODS OF TREATING INSULIN RESISTANCE AND INFLAMMATION PNLIP, CPT1A, CPT1B S1PR1 61/4885S1PR3 126/4885S1PR4 204/4885
US-20090042772-A1 COMPOUNDS AND METHODS OF TREATING INSULIN RESISTANCE AND CARDIOMYOPATHY CPT1A, CPT1B, PNLIP S1PR1 161/4885S1PR3 282/4885S1PR4 391/4885
US-20080139455-A1 COMPOUNDS AND METHODS OF TREATING METABOLIC SYNDROME AND INFLAMMATION PNLIP, CPT1A, CPT1B S1PR1 40/4885S1PR3 92/4885S1PR4 171/4885

“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.