SCHEMBL1622103

SCHEMBL1622103

CC(C)n1cc(C(=O)O)c2ccc(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.42
NR4A1 P22736 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C1 Q04828 1/20 0.40
CDK2 P24941 1/20 0.39
DHODH Q02127 1/20 0.39
PDGFRA P16234 1/20 0.39
CDK5 Q00535 1/20 0.39
TYRO3 Q06418 1/20 0.39
MCL1 Q07820 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 2/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL29744413 0.91 MYC (0.38) MYCNR4A1KDM4EGLAMEN1
SCHEMBL23497662 0.91 MYC (0.38) MYCNR4A1KDM4EGLAMEN1
SCHEMBL498716 0.85 PRPS1 (0.45) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL2706652 0.84 CA12 (0.41) MYCMEN1KMT2AALDH1A1NPC1
SCHEMBL2642568 0.84 CSNK2A1 (0.42) KDM4EMEN1KMT2ACDK2ALDH1A1
SCHEMBL2642669 0.84 IDO1 (0.46) KDM4EMEN1KMT2APDGFRACDK5
SCHEMBL2642632 0.83 PTGDR2 (0.42) MYCNR4A1KDM4EMEN1KMT2A
SCHEMBL2643375 0.83 PTGDR2 (0.40) KDM4ECDK2ALDH1A1LMNACA12
SCHEMBL30633673 0.82 NLRP3 (0.40) PDGFRACDK5TYRO3ALDH1A1LMNA
SCHEMBL26613882 0.82 NLRP3 (0.40) PDGFRACDK5TYRO3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928264-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2011-04-19 US disclosed
CN-101039902-B Aminoalcohol derivatives ASTELLAS PHARMA INC 2010-11-10 CN disclosed
EP-1791811-B1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC (JP) 2009-12-23 EP disclosed
US-20080039506-A1 Aminoalcohol Derivatives ASTELLAS PHARMA INC. (JP) 2008-02-14 US disclosed
CN-100348596-C Indole-3-carboxamides as glucokinase (GK) activators HOFFMANN LA ROCHE (CH) 2007-11-14 CN disclosed
EP-1549638-B1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-10-03 EP disclosed
CN-101039902-A Aminoalcohol derivatives ASTELLAS PHARMA INC (JP) 2007-09-19 CN disclosed
EP-1791811-A1 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2007-06-06 EP disclosed
WO-2006033446-A1 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2006-03-30 WO disclosed
CN-1688574-A Indole-3-carboxamides as glucokinase (GK) activators HOFFMANN LA ROCHE (CH) 2005-10-26 CN disclosed
EP-1549638-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-07-06 EP disclosed
US-6881844-B2 Indole-3-carboxamides as glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-04-19 US disclosed
WO-2004031179-A1 INDOLE-3-CARBOXAMIDES AS GLUCOKINASE (GK) ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-15 WO disclosed
US-20040067939-A1 Indole-3-carboxamides as glucokinase activators CORBETT WENDY LEA (US) 2004-04-08 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 (2 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-20040067939-A1 Indole-3-carboxamides as glucokinase activators GCKR, GPR119, GCK MYC 691/4885NR4A1 1507/4885KDM4E 2630/4885
US-20080039506-A1 Aminoalcohol Derivatives HRH4, HRH2, CBR3 MYC 3830/4885NR4A1 1538/4885KDM4E 1525/4885

“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.