SCHEMBL1902285

SCHEMBL1902285

COCCn1c(SC)nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c2c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 4/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HPGD P15428 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPPA P01160 1/20 0.36
MME P08473 1/20 0.36
TP53 P04637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35

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
SCHEMBL14119069 0.92 AKT1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL1901644 0.91 PDE2A (0.35) ALDH1A1HPGD
SCHEMBL1902104 0.90 TNK2 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL1904934 0.89 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL1904909 0.88 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL14118727 0.87 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL1902450 0.87 ALDH1A1 (0.35) ALDH1A1HPGDLMNAKDM4E
SCHEMBL1905588 0.87 KDM4E (0.34) ALDH1A1SMN1; SMN2TSHRHPGDMAPT
SCHEMBL14118606 0.87 PDE2A (0.38)
SCHEMBL1903809 0.87 ALDH1A1 (0.38) ALDH1A1TSHRNPSR1LMNAL3MBTL1

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-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 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-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 ALDH1A1 4803/4885SMN1; SMN2 3152/4885MEN1 1472/4885

“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.