SCHEMBL4985704

SCHEMBL4985704

C[C@@](CO)(NC(=O)O)C(=O)Nc1ccc(-c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
CNR1 P21554 1/20 0.45
RAB9A P51151 7/20 0.44
NPC1 O15118 5/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
KIF11 P52732 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 3/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL14263238 0.87 BCL2 (0.44) MEN1KMT2ATHRBRXFP1CNR1
SCHEMBL5354022 0.82 KIF11 (0.49) MEN1KMT2ATHRBRXFP1CNR1
SCHEMBL5354013 0.82 KIF11 (0.49) MEN1KMT2ATHRBRXFP1CNR1
SCHEMBL27701120 0.81 BCL2 (0.43) MEN1KMT2ATHRBRXFP1CNR1
SCHEMBL4985260 0.80 KIF11 (0.49) MEN1KMT2ARAB9ANPC1HTT
SCHEMBL14263374 0.75 CASP3 (0.46) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL4631317 0.75 L3MBTL1 (0.46) MEN1KMT2ATHRBLMNACYP3A4
SCHEMBL5899759 0.75 MAPT (0.68) MEN1KMT2ACNR1RAB9ANPC1
SCHEMBL14263172 0.74 S1PR1 (0.61)
SCHEMBL4985265 0.72 NPC1 (0.54) MEN1KMT2ARAB9ANPC1LMNA

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-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 MEN1 2839/4885KMT2A 3671/4885THRB 514/4885
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 MEN1 2839/4885KMT2A 3671/4885THRB 514/4885
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 MEN1 2839/4885KMT2A 3671/4885THRB 514/4885

“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.