SCHEMBL114997

SCHEMBL114997

COCCOc1ccc(NC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
RAB9A P51151 6/20 0.54
NPC1 O15118 6/20 0.54
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 3/20 0.54
CYP1A2 P05177 3/20 0.54
TP53 P04637 2/20 0.54
LMNA P02545 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
EPHX2 P34913 1/20 0.51
NR3C1 P04150 1/20 0.49
KDM4E B2RXH2 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL14113145 0.86 ALDH1A1 (0.71) MAPTRAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL22192236 0.85 NPC1 (0.68) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL5218010 0.84 GAA (0.64) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL10889365 0.82 ALDH1A1 (0.65) MAPTRAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL12287264 0.82 ALDH1A1 (0.65) MAPTRAB9AALDH1A1KMT2ASMN1; SMN2
SCHEMBL2097878 0.81 GAA (0.69) TP53TSHR
SCHEMBL28310060 0.81 TGM2 (0.67) LMNA
SCHEMBL29730681 0.81 ALDH1A1 (0.50) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL17818168 0.81 ALDH1A1 (0.50) MAPTRAB9ANPC1ALDH1A1KMT2A
SCHEMBL17538577 0.81 ALDH1A1 (0.59) MAPTRAB9ANPC1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
EP-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 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 (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-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR MTOR, PIK3CA, PIK3CD MAPT 1510/4885RAB9A 545/4885NPC1 479/4885

“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.