SCHEMBL4985265

SCHEMBL4985265

C[C@](N)(CO)C(=O)Nc1ccc(-c2csc(-c3ccc(-c4ccc5c(c4)OCO5)cc3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
MAPT P10636 7/20 0.54
LMNA P02545 6/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
GSTO1 P78417 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
ROCK1 Q13464 1/20 0.44
TSHR P16473 3/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 2/20 0.43
PTPRB P23467 1/20 0.43
ALDH1A1 P00352 4/20 0.43
PLG P00747 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
SCHEMBL4985278 1.00 NPC1 (0.54) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL5354022 0.87 KIF11 (0.49) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL5354013 0.87 KIF11 (0.49) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL5355963 0.87 S1PR1 (0.50) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL5355931 0.87 S1PR1 (0.50) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL4983710 0.83 MEN1 (0.61) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL4983716 0.83 MEN1 (0.61) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL27700976 0.82 MEN1 (0.63) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL27700978 0.82 MEN1 (0.63) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL4979410 0.81 RAB9A (0.50) NPC1RAB9ASMN1; SMN2MAPTLMNA

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 9 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-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
CN-101018761-A Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARM INC (US) 2007-08-15 CN 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
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2006-10-05 US disclosed
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHAMACEUTICALS, INC. (US) 2006-06-22 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 (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-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 NPC1 246/4885RAB9A 2800/4885SMN1; SMN2 1924/4885
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 NPC1 246/4885RAB9A 2800/4885SMN1; SMN2 1924/4885
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 NPC1 246/4885RAB9A 2800/4885SMN1; SMN2 1924/4885

“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.