SCHEMBL438476

SCHEMBL438476

COc1cc(C(=O)NCc2ccc(C(=O)O)cc2)c(C)c(Br)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.58
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 1/20 0.54
EPHX2 P34913 1/20 0.53
APEX1 P27695 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MMP13 P45452 1/20 0.47
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
TOP2A P11388 1/20 0.47
ALDH1A1 P00352 3/20 0.47
PTGER4 P35408 1/20 0.46
PTGER2 P43116 1/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL436249 0.91 HPGD (0.51) NR1H4HPGDSMN1; SMN2LMNAAPEX1
SCHEMBL449231 0.89 APEX1 (0.54) NR1H4HPGDSMN1; SMN2LMNAAPEX1
SCHEMBL451070 0.82 HDAC1 (0.64)
SCHEMBL11469323 0.79 POLB (0.67) NR1H4HPGDEPHX2APEX1L3MBTL1
SCHEMBL30740970 0.76 LCK (0.56) HPGDSMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL437132 0.76 LCK (0.56) HPGDSMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL13065867 0.76 KDM4E (0.45) NR1H4HPGDSMN1; SMN2LMNAAPEX1
SCHEMBL1565982 0.75 NR1H4 (0.61) NR1H4HPGDSMN1; SMN2LMNAEPHX2
SCHEMBL24735197 0.74 PTGER4 (0.74) NR1H4HPGDSMN1; SMN2LMNAEPHX2
SCHEMBL11464602 0.74 PTGER4 (0.69) NR1H4HPGDLMNAEPHX2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716326-B2 Isoindolinone derivatives, preparation method thereof and a pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-05-06 US disclosed
US-8716326-B2 Isoindolinone derivatives, preparation method thereof and a pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-05-06 US disclosed
US-8716326-B2 Isoindolinone derivatives, preparation method thereof and a pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-05-06 US disclosed
EP-2429987-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute Of Chemical Technology (KR) 2012-03-21 EP disclosed
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-15 US disclosed
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-15 US disclosed
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-15 US disclosed
WO-2010131922-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-18 WO disclosed
WO-2010131922-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-18 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-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME PPIP5K2, SOST, ALPL NR1H4 2524/4885HPGD 313/4885SMN1; SMN2 3278/4885

“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.