SCHEMBL2000740

SCHEMBL2000740

Cc1cnc(-c2ccc3c(c2)OCO3)nc1CNCCCOc1ccc2[nH]cc(CC(=O)O)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.48
LMNA P02545 4/20 0.48
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2D6 P10635 4/20 0.48
MAPK1 P28482 4/20 0.48
CYP2C19 P33261 4/20 0.48
CLK4 Q9HAZ1 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TSHR P16473 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GLA P06280 1/20 0.48
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
PPARD Q03181 1/20 0.43
CYP2C9 P11712 3/20 0.42
CASP1 P29466 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
SCHEMBL2001959 0.91 USP2 (0.46) USP2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL2008026 0.87 PPARD (0.46) TSHRPPARGPPARAPPARDKDM4E
SCHEMBL1999970 0.87 PPARD (0.49) USP2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL2004284 0.80 KDM4E (0.51) USP2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL3124056 0.79 PPARA (0.66) PPARGPPARAPPARD
SCHEMBL2006659 0.79 PPARD (0.47) TSHRPPARGPPARAPPARDKDM4E
SCHEMBL1998011 0.77 TRPV1 (0.42) TSHRPPARGPPARAPPARDKDM4E
SCHEMBL4237361 0.77 TRPV1 (0.42) TSHRPPARGPPARAPPARDKDM4E
SCHEMBL1400910 0.76 PPARA (0.55) PPARGPPARAPPARD
SCHEMBL2003374 0.73 KDM4E (0.46) LMNATSHRALDH1A1GLAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC 2006-11-23 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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT USP2 1285/4885LMNA 3247/4885CYP1A2 404/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT USP2 1285/4885LMNA 3247/4885CYP1A2 404/4885

“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.