SCHEMBL3616763

SCHEMBL3616763

CCCC(=O)Oc1cccc(C=CC(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ SMN1; SMN2 Q16637 1/20 0.66
▸ PKM P14618 1/20 0.56
▸ AKR1C3 P42330 8/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ BCHE P06276 2/20 0.47
▸ FOS P01100 1/20 0.47
▸ JUN P05412 1/20 0.47
▸ AKR1C2 P52895 1/20 0.46
▸ MAOB P27338 2/20 0.46
▸ RHOA P61586 1/20 0.45

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
SCHEMBL3616760 1.00 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2PKMAKR1C3
SCHEMBL20788033 0.90 ALDH1A1 (0.60) KDM4EALDH1A1SMN1; SMN2PKMAKR1C3
SCHEMBL20788032 0.90 ALDH1A1 (0.60) KDM4EALDH1A1SMN1; SMN2PKMAKR1C3
SCHEMBL5135534 0.89 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2PKMAKR1C3
SCHEMBL5135532 0.89 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2PKMAKR1C3
SCHEMBL14508502 0.85 KDM4E (0.64) KDM4EALDH1A1SMN1; SMN2PKMNPSR1
SCHEMBL6792463 0.84 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2BCHEMAOB
SCHEMBL20788019 0.83 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2PKMAKR1C3
SCHEMBL20788020 0.83 ALDH1A1 (0.52) KDM4EALDH1A1SMN1; SMN2PKMAKR1C3
SCHEMBL3614708 0.82 THRB (0.58) KDM4EALDH1A1SMN1; SMN2PKMAKR1C3

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 5 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
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-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

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 KDM4E 1835/4885ALDH1A1 3196/4885SMN1; SMN2 2253/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 KDM4E 1803/4885ALDH1A1 3103/4885SMN1; SMN2 2272/4885

“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.

Send feedback