SCHEMBL1373113

SCHEMBL1373113

NC(COCc1ccccc1)C(=O)Nc1cccc(Oc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
S1PR1 P21453 4/20 0.51
LTA4H P09960 5/20 0.49
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL1373110 1.00 MITF (0.51) MITFALDH1A1POLBMAPK1HTT
SCHEMBL1372071 0.89 S1PR1 (0.62) S1PR1LTA4H
SCHEMBL1372073 0.89 S1PR1 (0.62) S1PR1LTA4H
SCHEMBL1371594 0.87 S1PR1 (0.62) S1PR1LTA4H
SCHEMBL1371590 0.87 S1PR1 (0.62) S1PR1LTA4H
SCHEMBL2307636 0.86 LTA4H (0.58) S1PR1LTA4HHDAC8
SCHEMBL1371620 0.85 S1PR1 (0.58) ALDH1A1S1PR1LTA4H
SCHEMBL1371622 0.85 S1PR1 (0.58) ALDH1A1S1PR1LTA4H
SCHEMBL1372231 0.83 S1PR1 (0.62) ALDH1A1S1PR1LTA4HLMNAMAPT
SCHEMBL1372228 0.83 S1PR1 (0.62) ALDH1A1S1PR1LTA4HLMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791102-B2 Acetanilide sphingosine-1-phosphate receptor antagonists EXELIXIS, INC. (US) 2014-07-29 US disclosed
US-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists EXELIXIS, INC. (US) 2011-11-24 US disclosed
CN-102256944-A Sphingosine-1-phosphate receptor antagonists EXELIXIS INC 2011-11-23 CN 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-20110288076-A1 Sphingosine-1-Phosphate Receptor Antagonists S1PR1, S1PR2, S1PR3 MITF 4681/4885ALDH1A1 4114/4885POLB 2626/4885

“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.