SCHEMBL2014491

SCHEMBL2014491

COC(=O)c1ccc(-c2ccc(C=O)s2)cc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 3/20 0.62
PTPN22 Q9Y2R2 4/20 0.43
PGR P06401 1/20 0.43
MAPT P10636 4/20 0.41
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
APP P05067 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ERN1 O75460 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL608586 0.81 PRF1 (0.60) PRF1MAPTSMN1; SMN2CYP2E1CYP3A4
SCHEMBL5737975 0.78 PGR (0.51) PRF1PGRMAPTSMN1; SMN2CYP2E1
SCHEMBL12634247 0.78 PRF1 (1.00) PRF1
SCHEMBL30096308 0.77 PGR (0.49) PRF1PGRMAPTCYP2E1CYP3A4
SCHEMBL2884545 0.77 KDM4E (0.52) PRF1MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL2560700 0.76 ERN1 (0.49) PRF1PTPN22PGRMAPTALDH1A1
SCHEMBL20718437 0.72 NPSR1 (0.47) PRF1MAPTSMN1; SMN2CYP2E1CYP3A4
SCHEMBL2576240 0.71 HNF4A (0.50) PRF1PTPN22MAPTCYP2E1CYP3A4
SCHEMBL497789 0.71 ALDH1A1 (0.59) MAPTSMN1; SMN2CYP2C9CYP2C19ALDH1A1
SCHEMBL9149067 0.71 KDM4E (0.46) PRF1MAPTSMN1; SMN2CYP2C9CYP2C19

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 1/4885PTPN22 1526/4885PGR 1624/4885

“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.