SCHEMBL2149144

SCHEMBL2149144

O=C(CC(=O)c1cccc(C(=O)O)c1O)c1cccnc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.44
DHODH Q02127 6/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP3A4 P08684 2/20 0.44
MEN1 O00255 1/20 0.44
GMNN O75496 1/20 0.44
TTR P02766 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
UGT1A1 P22309 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
TEAD4 Q15561 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL3694218 0.86 KDM4E (0.44) HDAC6ALDH1A1LMNATDP1PKM
SCHEMBL2155563 0.81 P2RX1 (0.52) HDAC6ALDH1A1LMNATDP1CYP3A4
SCHEMBL413572 0.81 NAPRT (0.58) HDAC6DHODHALDH1A1LMNATDP1
SCHEMBL29488337 0.81 NAPRT (0.58) HDAC6DHODHALDH1A1LMNATDP1
SCHEMBL8439117 0.76 HDAC6 (0.47) HDAC6DHODHALDH1A1LMNATDP1
SCHEMBL16787536 0.75 HDAC6 (0.48) HDAC6DHODHALDH1A1LMNATDP1
SCHEMBL8328384 0.74 HDAC6 (0.45) HDAC6DHODHALDH1A1LMNATDP1
Hydrochloric Acid SCHEMBL5052614 0.74 HDAC6 (0.47) HDAC6DHODHALDH1A1LMNATDP1
SCHEMBL3583783 0.73 MAPT (0.47) HDAC6ALDH1A1LMNACYP3A4MEN1
SCHEMBL7165288 0.72 ALDH1A1 (0.52) ALDH1A1LMNACYP3A4MEN1CYP2C9

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-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GlaxoSmithKline, LLC 2015-05-28 US disclosed
US-8987258-B2 Chromenone analogs as sirtuin modulators GLAXOSMITHKLINE LLC 2015-03-24 US disclosed
EP-2342188-B1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-07-30 EP disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
EP-2342188-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-07-13 EP disclosed
WO-2010037127-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2010-04-01 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 (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-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HDAC6 48/4885DHODH 3082/4885ALDH1A1 2249/4885
US-20150148343-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HDAC6 40/4885DHODH 3095/4885ALDH1A1 1980/4885

“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.