SCHEMBL874138

SCHEMBL874138

COC(=O)COc1cccc(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
NR4A2 P43354 4/20 0.58
PLA2G4B P0C869 1/20 0.57
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.55
NR1H4 Q96RI1 2/20 0.55
MEN1 O00255 1/20 0.54
AKR1C3 P42330 1/20 0.53
LMNA P02545 1/20 0.53
NR4A1 P22736 1/20 0.52
NR4A3 Q92570 1/20 0.52
PKM P14618 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL31657250 0.90 AKR1C3 (0.62) KMT2APLA2G4BALDH1A1CYP2C9MRGPRX4
SCHEMBL15188997 0.88 KMT2A (0.58) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7396086 0.87 KMT2A (0.61) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2832791 0.87 SMN1; SMN2 (0.59) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4076916 0.86 LMNA (0.62) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9127435 0.86 KMT2A (0.56) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6816376 0.84 KMT2A (0.63) KMT2ANR4A2PLA2G4BALDH1A1MRGPRX4
SCHEMBL12411431 0.83 KMT2A (0.66) KMT2ANR4A2PLA2G4BMRGPRX4NR1H4
SCHEMBL31604372 0.83 KMT2A (0.54) KMT2AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1928759 0.83 KMT2A (0.57) KMT2ANR4A2PLA2G4BCYP2C9MRGPRX4

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-1523473-B1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2013-02-27 EP disclosed
WO-2012040499-A2 METABOLIC INHIBITORS SURFACE LOGIX, INC. (US) 2012-03-29 WO disclosed
US-7858616-B2 Indolinone derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-12-28 US disclosed
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-06 US disclosed
US-7547703-B2 Indoline derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-06-16 US disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-7169936-B2 Indolinone derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-30 US disclosed
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ROTH GERALD J 2007-01-04 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US disclosed
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-24 US disclosed
US-5254576-A Diphenyl-heterocyclic-oxazole as platelet aggregation inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1993-10-19 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 (4 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-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR KMT2A 2965/4885NR4A2 1871/4885PLA2G4B 2824/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR KMT2A 3530/4885NR4A2 1504/4885PLA2G4B 3341/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR KMT2A 2965/4885NR4A2 1871/4885PLA2G4B 2824/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 KMT2A 3404/4885NR4A2 1701/4885PLA2G4B 2817/4885

“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.