SCHEMBL986977

SCHEMBL986977

CCOC(=O)c1cc(O)cc(-c2ccccc2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.55
KDM4E B2RXH2 4/20 0.54
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAPT P10636 4/20 0.52
CYP1A2 P05177 2/20 0.51
GABRA2 P47869 2/20 0.51
GABRB2 P47870 2/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CDC7 O00311 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.49

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
SCHEMBL1200252 0.84 GABRA2 (0.55) CCR6KDM4EMAPK1TDP1L3MBTL1
SCHEMBL30925072 0.84 NPC1 (0.57) CCR6KDM4EMAPK1TDP1L3MBTL1
SCHEMBL29214354 0.84 NPC1 (0.57) CCR6KDM4EMAPK1TDP1L3MBTL1
SCHEMBL4309260 0.82 LMNA (0.52) KDM4EMAPK1MAPTCYP1A2GABRA2
SCHEMBL30925063 0.82 RAB9A (0.55) CCR6KDM4EMAPK1TDP1L3MBTL1
SCHEMBL30925075 0.82 RAB9A (0.55) CCR6KDM4EMAPK1TDP1L3MBTL1
SCHEMBL29214327 0.82 RAB9A (0.55) CCR6KDM4EMAPK1TDP1L3MBTL1
SCHEMBL16701675 0.82 RAB9A (0.56) CCR6KDM4EMAPK1TDP1L3MBTL1
SCHEMBL113705 0.81 CYP1A2 (0.63) KDM4EMAPK1TDP1MAPTCYP1A2
SCHEMBL19180075 0.80 CYP1A2 (0.64) KDM4EMAPK1TDP1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
EP-2217606-A1 SOLUBILIZED THIAZOLOPYRIDINES Sirtris Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO 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 (1 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-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRT3, SIRT1, SIRT2 CCR6 4808/4885KDM4E 3193/4885MAPK1 1566/4885

“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.