SCHEMBL608586

SCHEMBL608586

COC(=O)c1ccc(-c2ccc(C=O)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 4/20 0.60
ALDH1A1 P00352 3/20 0.53
ERN1 O75460 4/20 0.49
APP P05067 1/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA12 O43570 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CA7 P43166 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
CYP2E1 P05181 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL2018299 0.83 PRF1 (0.60) PRF1ALDH1A1APPKDM4EGAA
SCHEMBL2016057 0.82 PRF1 (0.56) PRF1APPMAPTKMT2ACYP2E1
SCHEMBL2014491 0.81 PRF1 (0.62) PRF1ALDH1A1ERN1APPKDM4E
SCHEMBL2015912 0.80 APP (0.54) PRF1ALDH1A1ERN1APPKDM4E
SCHEMBL20718442 0.80 HPGDS (0.51) PRF1ALDH1A1KDM4EMAPTKMT2A
SCHEMBL27108460 0.79 ALDH1A1 (0.55) PRF1ALDH1A1CA1CA2CA12
SCHEMBL2015377 0.79 PRF1 (0.56) PRF1ERN1APPMAPTCYP2E1
SCHEMBL29906326 0.79 CA1 (0.50) PRF1ALDH1A1ERN1APPCA1
SCHEMBL2019176 0.78 PRF1 (0.58) PRF1ALDH1A1ERN1APPMAPT
SCHEMBL2357473 0.78 PRF1 (0.49) PRF1ALDH1A1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS GB006 INC (US) 2020-04-23 US disclosed
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS GB006 INC (US) 2020-04-23 US disclosed
WO-2018126072-A1 HETEROCYCLIC INTEGRIN AGONISTS ADHAERE PHARMACEUTICALS, INC. (US) 2018-07-05 WO disclosed
EP-2176222-B1 NOVEL HERBICIDES SYNGENTA LTD (GB) 2014-11-05 EP disclosed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US disclosed
US-8822518-B2 Compounds as antagonists or inverse agonists of opioid receptors for treatment of addiction GLAXOSMITHKLINE LLC (US) 2014-09-02 US disclosed
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC (US) 2014-04-10 US disclosed
US-8633175-B2 Compounds as antagonists or inverse agonists at opioid receptors GLAXOSMITHKLINE LLC (US) 2014-01-21 US disclosed
US-8598365-B2 Herbicides SYNGENTA LIMITED (GB) 2013-12-03 US disclosed
US-8541594-B2 2013-09-24 US disclosed
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
US-20120040826-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2012-02-16 US disclosed
WO-2011075784-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2011-06-30 WO disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
EP-2176222-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2010-04-21 EP disclosed
WO-2009015877-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2009-02-05 WO disclosed
US-20040002526-A1 Phospholipase D inhibitors and uses thereof CELL THERAPEUTICS, INC. 2004-01-01 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 (8 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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 PRF1 4813/4885ALDH1A1 3500/4885ERN1 2227/4885
US-20040002526-A1 Phospholipase D inhibitors and uses thereof PLD2, PLD1, PLA2G2D PRF1 1625/4885ALDH1A1 1070/4885ERN1 2906/4885
US-20120040826-A1 NOVEL HERBICIDES DDT, HDHD5, DDC PRF1 4872/4885ALDH1A1 294/4885ERN1 3645/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 PRF1 4861/4885ALDH1A1 4254/4885ERN1 3244/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 PRF1 4813/4885ALDH1A1 3500/4885ERN1 2227/4885
US-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PRF1, GZMB, SERPINB1 PRF1 1/4885ALDH1A1 3531/4885ERN1 1616/4885
US-20200123146-A1 HETEROCYCLIC INTEGRIN AGONISTS ITGA1, ITGA4, ITGA2 PRF1 2326/4885ALDH1A1 1447/4885ERN1 4169/4885
US-20140100255-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 PRF1 4813/4885ALDH1A1 3500/4885ERN1 2227/4885

“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.