SCHEMBL14263261

SCHEMBL14263261

CCCCc1ccc(-c2ccc(NC(=O)[C@@](C)(N)CO)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.52
POLB P06746 1/20 0.51
S1PR4 O95977 3/20 0.50
S1PR1 P21453 3/20 0.50
S1PR3 Q99500 3/20 0.50
S1PR5 Q9H228 3/20 0.50
SPHK1 Q9NYA1 6/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
GHSR Q92847 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RARB P10826 1/20 0.48
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
SPHK2 Q9NRA0 1/20 0.46

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
SCHEMBL14263146 0.90 S1PR1 (0.61) S1PR4S1PR1S1PR3S1PR5
SCHEMBL14263209 0.89 NPC1 (0.52) NPC1RAB9AHPGDSMN1; SMN2POLB
SCHEMBL14263230 0.86 S1PR4 (0.46) NPC1RAB9AHPGDSMN1; SMN2POLB
SCHEMBL14263145 0.83 S1PR1 (0.64) S1PR4S1PR1S1PR3S1PR5CA12
SCHEMBL14263175 0.82 S1PR1 (0.73) S1PR4S1PR1S1PR3S1PR5
SCHEMBL4983989 0.81 S1PR1 (0.75) S1PR4S1PR1S1PR3S1PR5
SCHEMBL4629063 0.81 S1PR1 (0.75) S1PR4S1PR1S1PR3S1PR5
SCHEMBL4981018 0.81 S1PR1 (0.75) S1PR4S1PR1S1PR3S1PR5
SCHEMBL4981029 0.81 S1PR1 (0.75) S1PR4S1PR1S1PR3S1PR5
SCHEMBL14263246 0.80 S1PR1 (0.58) NPC1RAB9ASMN1; SMN2S1PR4S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 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 (1 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-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 NPC1 246/4885RAB9A 2800/4885HPGD 2554/4885

“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.