SCHEMBL5354022

SCHEMBL5354022

CC(N)(CO)C(=O)Nc1ccc(-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
THRB P10828 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CNR1 P21554 1/20 0.47
POLB P06746 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 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
SCHEMBL5354013 1.00 KIF11 (0.49) KIF11NPC1RAB9AMEN1KMT2A
SCHEMBL4985278 0.87 NPC1 (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4985265 0.87 NPC1 (0.54) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4981225 0.85 CASP3 (0.51) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4980017 0.85 CASP3 (0.51) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL14263172 0.83 S1PR1 (0.61)
SCHEMBL4985704 0.82 MEN1 (0.45) KIF11NPC1RAB9AMEN1KMT2A
SCHEMBL14263189 0.79 S1PR1 (0.70)
SCHEMBL14263238 0.79 BCL2 (0.44) KIF11NPC1RAB9AMEN1KMT2A
SCHEMBL5899759 0.77 MAPT (0.68) KIF11NPC1RAB9AMEN1KMT2A

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
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-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 (2 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-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 KIF11 3200/4885NPC1 246/4885RAB9A 2800/4885
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 KIF11 3200/4885NPC1 246/4885RAB9A 2800/4885

“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.