SCHEMBL2020700

SCHEMBL2020700

O=Cc1ccc(-c2ccc(C(=O)NCC(O)CO)cc2)s1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 8/20 0.66
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
APP P05067 1/20 0.39
HPGDS O60760 1/20 0.39
PRMT5 O14744 1/20 0.38
CNR2 P34972 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 1/20 0.36

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
SCHEMBL2017235 0.86 PRF1 (0.65) PRF1HPGDAPP
SCHEMBL2021463 0.82 PRF1 (0.61) PRF1ALDH1A1KDM4EHPGDAPP
SCHEMBL14761661 0.80 PRF1 (1.00) PRF1
SCHEMBL14761665 0.80 PRF1 (1.00) PRF1
SCHEMBL14761662 0.80 PRF1 (1.00) PRF1
SCHEMBL2018172 0.80 PRF1 (0.63) PRF1ALDH1A1APP
SCHEMBL1663138 0.77 ALDH1A1 (0.49) PRF1ALDH1A1KDM4EHPGDPRMT5
SCHEMBL2018299 0.77 PRF1 (0.60) PRF1ALDH1A1KDM4EHPGDAPP
SCHEMBL608586 0.73 PRF1 (0.60) PRF1ALDH1A1KDM4EHPGDAPP
SCHEMBL2015912 0.72 APP (0.54) PRF1ALDH1A1KDM4EAPPCYP2E1

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-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2013-03-14 US disclosed
EP-2515903-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF Peter MacCallum Cancer Institute (AU) 2012-10-31 EP disclosed
WO-2011075784-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2011-06-30 WO 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-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PRF1, GZMB, SERPINB1 PRF1 1/4885ALDH1A1 3531/4885KDM4E 4655/4885

“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.