SCHEMBL2021463

SCHEMBL2021463

O=Cc1ccc(-c2ccc(C(=O)NCCO)cc2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 6/20 0.61
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MMP13 P45452 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
APP P05067 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MCHR1 Q99705 1/20 0.41
NEK1 Q96PY6 1/20 0.41
HDAC4 P56524 1/20 0.41

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
SCHEMBL2018172 0.92 PRF1 (0.63) PRF1CA12CA1CA2CA9
SCHEMBL2020700 0.82 PRF1 (0.66) PRF1KDM4EALDH1A1HPGDAPP
SCHEMBL2018299 0.81 PRF1 (0.60) PRF1KDM4EALDH1A1HPGDHTT
SCHEMBL2017235 0.80 PRF1 (0.65) PRF1HPGDNPSR1APP
SCHEMBL764305 0.80 ALDH1A1 (0.58) PRF1CA12CA1CA2CA9
SCHEMBL2016347 0.80 CD274 (0.64) PRF1KDM4EALDH1A1POLBHPGD
SCHEMBL2045506 0.78 PRF1 (0.68) PRF1KDM4EALDH1A1HPGDHTT
SCHEMBL6225391 0.77 MCHR1 (0.66) KDM4EALDH1A1MCHR1HDAC6
SCHEMBL2047690 0.77 PRF1 (1.00) PRF1
SCHEMBL14761064 0.77 PRF1 (1.00) PRF1

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 1/4885CA12 4429/4885CA1 4364/4885

“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.