SCHEMBL2280964

SCHEMBL2280964

CCc1c(C(C)O)nn(C)c1OC(=O)c1ccc(C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 7/20 0.37
GAA P10253 3/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PRSS1 P07477 1/20 0.35
ACR P10323 1/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4120589 0.80 KDM4E (0.38) MAPTKMT2AGAAMEN1CYP2C9
SCHEMBL4116354 0.79 ELANE (0.46) MAPTKMT2AGAAMEN1CYP1A2
SCHEMBL2279534 0.76 ELANE (0.44) MAPTKMT2AGAAMEN1ADRB2
SCHEMBL1705572 0.74 ADRB2 (0.38) MAPTKMT2AGAAMEN1ADRB2
SCHEMBL11653261 0.66 MAPT (0.50) MAPTKMT2AGAAMEN1CYP1A2
SCHEMBL12362133 0.62 PRSS1 (0.58) KMT2AMEN1CYP1A2CYP2C9ALDH1A1
SCHEMBL16866092 0.62 PRSS1 (0.58) KMT2AMEN1CYP1A2CYP2C9ALDH1A1
SCHEMBL13225721 0.62 PRSS1 (0.58) KMT2AMEN1CYP1A2CYP2C9ALDH1A1
SCHEMBL12566130 0.62 PRSS1 (0.58) KMT2AMEN1CYP1A2CYP2C9ALDH1A1
SCHEMBL18862471 0.61 ADRB2 (0.55) MAPTKMT2AGAAMEN1CYP1A2

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-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
EP-1988081-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD (JP) 2008-11-05 EP 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 MAPT 3475/4885POLB 4129/4885KMT2A 3906/4885

“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.