SCHEMBL4993603

SCHEMBL4993603

COC(CCOc1ccccc1)C(=O)NC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.46
PPARA Q07869 4/20 0.46
PPARD Q03181 3/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 3/20 0.46
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
NPC1 O15118 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC2 Q92769 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4650646 0.81 PPARG (0.61) PPARGPPARAPPARDRAB9AMAPT
SCHEMBL6200075 0.78 PPARG (0.51) PPARGPPARAPPARDRAB9AMAPT
SCHEMBL28727724 0.75 PPARG (0.49) PPARGPPARAPPARDRAB9AMAPT
SCHEMBL1833135 0.69 LTA4H (0.54) PPARGPPARAPPARDRAB9AMAPT
SCHEMBL1833133 0.69 LTA4H (0.54) PPARGPPARAPPARDRAB9AMAPT
SCHEMBL28082367 0.69 PPARA (0.63) PPARGPPARAPPARDTDP1
SCHEMBL24351834 0.69 S1PR1 (0.39) PPARGPPARAMAPTCYP1A2SMN1; SMN2
Formic Acid SCHEMBL27596947 0.68 LMNA (0.55) PPARGPPARARAB9AMTNR1AMTNR1B
SCHEMBL1805351 0.68 TDP1 (0.57) PPARGPPARARAB9AMAPTMTNR1A
SCHEMBL12141802 0.68 MTNR1A (0.47) PPARGPPARAPPARDRAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396940-B2 Combinatorial library of 3-aryl-1H-indole-2-carboxylic acid HOFFMANN-LA ROCHE INC. (US) 2008-07-08 US disclosed
WO-2005040111-A2 COMBINATORIAL LIBRARY OF 3-ARYL-1H-INDOLE-2-CARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (DE) 2005-05-06 WO disclosed
WO-2005040073-A2 SOLID PHASE SYNTHESIS OF 3-ARYL-2- INDOLYLCARBOXYLIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO disclosed
US-20050089935-A1 Combinatorial library of 3-aryl-1h-indole-2-carboxylic acid CAI JIANPING (US) 2005-04-28 US disclosed
US-20050089936-A1 Combinatorial library of 3-aryl-1H-indole-2-carboxylic acid amides CAI JIANPING (US) 2005-04-28 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 (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-20050089935-A1 Combinatorial library of 3-aryl-1h-indole-2-carboxylic acid AADAC, KYNU, DDC PPARG 542/4885PPARA 201/4885PPARD 543/4885
US-20050089936-A1 Combinatorial library of 3-aryl-1H-indole-2-carboxylic acid amides AADAC, KYNU, AANAT PPARG 692/4885PPARA 236/4885PPARD 667/4885

“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.