Sugi Predict

Sugi Predict / Compounds / SCHEMBL2001852

SCHEMBL2001852

SCHEMBL2001852

COc1cc(-c2nc(C)c(C(C)=O)o2)ccc1OCCCOc1ccc2[nH]cc(C(C)C(=O)O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ PRKAB2 O43741 1/20 0.40
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PRKAG3 Q9UGI9 1/20 0.40
▸ PRKAG2 Q9UGJ0 1/20 0.40
▸ PRKAB1 Q9Y478 1/20 0.40
▸ PPARA Q07869 9/20 0.38
▸ PPARD Q03181 8/20 0.38
▸ PPARG P37231 2/20 0.38
▸ MTNR1A P48039 2/20 0.37
▸ MTNR1B P49286 2/20 0.37
▸ HTT P42858 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ MAPT P10636 1/20 0.36

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
SCHEMBL2001850 0.85 PPARA (0.42) KDM4ESMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL2005321 0.82 KDM4E (0.41) KDM4ESMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL2001950 0.80 PPARD (0.44) KDM4ESMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL1998618 0.79 PPARD (0.56) KDM4EPPARAPPARDMAPTHPGD
SCHEMBL2000620 0.79 PPARD (0.57) KDM4ESMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL12568492 0.77 PPARG (0.41) KDM4ESMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL2000193 0.77 PPARD (0.52) KDM4ESMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL2002165 0.76 PPARD (0.58) PPARAPPARD
SCHEMBL12568512 0.75 PPARA (0.41) KDM4ESMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL2002451 0.74 PPARD (0.42) PPARAPPARDPPARGHTT

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 4 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-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 — — 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 KDM4E 1373/4885SMN1; SMN2 4839/4885MEN1 2247/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT KDM4E 1373/4885SMN1; SMN2 4839/4885MEN1 2247/4885

“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.