SCHEMBL3608630

SCHEMBL3608630

CCCC(=O)Oc1ccc(CC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.48
ALDH1A1 P00352 7/20 0.47
BCL9 O00512 1/20 0.47
CTNNB1 P35222 1/20 0.47
MAPT P10636 3/20 0.43
ALPG P10696 1/20 0.43
LMNA P02545 5/20 0.43
GAA P10253 3/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
FFAR1 O14842 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6794871 0.87 ALOX15 (0.50) ALOX15ALDH1A1BCL9CTNNB1MAPT
SCHEMBL8383426 0.87 ALOX15 (0.50) ALOX15ALDH1A1BCL9CTNNB1MAPT
SCHEMBL6742480 0.85 ALOX15 (0.48) ALOX15ALDH1A1BCL9CTNNB1MAPT
SCHEMBL9521629 0.84 ALDH1A1 (0.47) ALDH1A1MAPTALPGLMNAGAA
SCHEMBL10804019 0.84 ALOX15 (0.47) ALOX15ALDH1A1BCL9CTNNB1MAPT
SCHEMBL3617307 0.82 ALOX15 (0.68) ALOX15ALDH1A1MAPTLMNAGAA
SCHEMBL27768435 0.81 BCL9 (0.62) ALOX15ALDH1A1BCL9CTNNB1MAPT
SCHEMBL6990630 0.81 LMNA (0.58) ALDH1A1MAPTALPGLMNAGAA
SCHEMBL2976618 0.81 GAA (0.60) ALDH1A1LMNAGAAHTTMEN1
SCHEMBL2976612 0.81 GAA (0.60) ALDH1A1LMNAGAAHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US disclosed
EP-1928848-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE Apogee Biothechnology Corporation (US) 2008-06-11 EP disclosed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 WO disclosed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 WO disclosed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 WO disclosed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 WO disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 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 (2 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-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 ALOX15 622/4885ALDH1A1 3196/4885BCL9 1071/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 ALOX15 598/4885ALDH1A1 3103/4885BCL9 1143/4885

“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.