SCHEMBL1662231

SCHEMBL1662231

NCCSc1ccc(-c2ccc(SCCN)nc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
MITF O75030 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
KDM4E B2RXH2 10/20 0.38
ALDH1A1 P00352 8/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 2/20 0.38
HRH1 P35367 4/20 0.38
RAB9A P51151 7/20 0.36
NPC1 O15118 6/20 0.36
MAPT P10636 6/20 0.36
POLB P06746 4/20 0.36
GAA P10253 2/20 0.36
MAPK1 P28482 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
SCHEMBL13173421 0.89 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL13173488 0.80 NOS3 (0.42) KDM4EALDH1A1HPGDHSD17B10HRH1
SCHEMBL13173479 0.80 HRH1 (0.38) KDM4EALDH1A1HRH1POLBL3MBTL1
SCHEMBL12795679 0.77 HTR7 (0.36) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL7787772 0.76 TAAR1 (0.43) KDM4EALDH1A1HPGDHSD17B10RAB9A
SCHEMBL10270153 0.76 KIF11 (0.40) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL7797891 0.76 ALDH1A1 (0.56) KDM4EALDH1A1HRH1RAB9AMAPT
SCHEMBL317308 0.71 ALDH1A1 (0.58) ALDH1A1HPGDHRH1RAB9ANPC1
SCHEMBL23634053 0.70 CA12 (0.42) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
Hydrochloric Acid SCHEMBL4286924 0.69 ALDH1A1 (0.56) ALDH1A1HPGDHRH1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488544-B1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION UNIV MONASH (AU) 2015-03-18 EP disclosed
EP-2488544-B1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION UNIV MONASH (AU) 2015-03-18 EP disclosed
US-8748582-B2 Affinity ligands and methods for protein purification MONASH UNIVERSITY (AU) 2014-06-10 US disclosed
US-8748582-B2 Affinity ligands and methods for protein purification MONASH UNIVERSITY (AU) 2014-06-10 US disclosed
US-8748582-B2 Affinity ligands and methods for protein purification MONASH UNIVERSITY (AU) 2014-06-10 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US disclosed
US-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY 2012-10-11 US disclosed
EP-2488544-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION Monash University (AU) 2012-08-22 EP disclosed
WO-2011044637-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY (AU) 2011-04-21 WO disclosed
WO-2011044637-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MONASH UNIVERSITY (AU) 2011-04-21 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-20120259094-A1 AFFINITY LIGANDS AND METHODS FOR PROTEIN PURIFICATION MAX, SPR, CCL2 PIK3CD 4838/4885PIK3CA 4771/4885PIK3CB 4791/4885

“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.