SCHEMBL4979402

SCHEMBL4979402

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.50
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
NPC1 O15118 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
GFER P55789 2/20 0.47
MAPT P10636 2/20 0.47
STAT1 P42224 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
SMO Q99835 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
SREBF2 Q12772 3/20 0.45
CYP19A1 P11511 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
SCHEMBL4979410 1.00 RAB9A (0.50) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL27700978 0.90 MEN1 (0.63) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL27700976 0.90 MEN1 (0.63) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4983710 0.89 MEN1 (0.61) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4983716 0.89 MEN1 (0.61) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4986363 0.85 S1PR1 (0.55) MEN1KMT2A
SCHEMBL4986348 0.85 S1PR1 (0.55) MEN1KMT2A
SCHEMBL4985265 0.81 NPC1 (0.54) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4985278 0.81 NPC1 (0.54) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL5172602 0.76 MEN1 (0.65) RAB9AMEN1KMT2ANPC1SMN1; SMN2

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 RAB9A 2800/4885MEN1 2839/4885KMT2A 3671/4885
US-20060223866-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 RAB9A 2800/4885MEN1 2839/4885KMT2A 3671/4885
US-20060135786-A1 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 RAB9A 2800/4885MEN1 2839/4885KMT2A 3671/4885

“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.