SCHEMBL12374038

SCHEMBL12374038

CCCCCCC(N)c1cnc(Oc2ccc(F)cc2)n1CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.41
HTT P42858 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
TP53 P04637 1/20 0.33
LTA4H P09960 2/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SCN9A Q15858 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
P2RX3 P56373 1/20 0.31
SIGMAR1 Q99720 2/20 0.31
MMP13 P45452 1/20 0.31
TSHR P16473 2/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL2279051 0.86 HTT (0.41) HTTNCOA3LTA4HKDM4EMEN1
SCHEMBL12374000 0.82 HTT (0.39) HTTNCOA3KDM4EMEN1KMT2A
SCHEMBL12373975 0.82 HTT (0.42) HTTNCOA3LTA4HKDM4EMEN1
SCHEMBL12373980 0.81 HTT (0.38) HTTNCOA3TP53MEN1KMT2A
SCHEMBL12374039 0.80 HTT (0.40) HTTNCOA3LTA4HKDM4EMEN1
SCHEMBL12373987 0.79 HTT (0.36) HTTNCOA3ALDH1A1P2RX3TSHR
SCHEMBL12374007 0.78 PPARA (0.40) HTTNCOA3ALDH1A1P2RX3TSHR
SCHEMBL12374002 0.78 HTT (0.39) HTTNCOA3TP53KDM4EMEN1
SCHEMBL2278555 0.76 HTT (0.41) HTTNCOA3KDM4EMEN1KMT2A
SCHEMBL12373852 0.75 S1PR1 (0.41) ALDH1A1SIGMAR1CYP1A2CYP3A4CYP2C9

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-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE S1PR1, S1PR3, S1PR2 SLC2A1 2717/4885HTT 4589/4885NCOA3 1611/4885

“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.