SCHEMBL2354501

SCHEMBL2354501

O=c1cc(-c2ccc(OCc3ccccc3)cc2)c(C(F)(F)F)n[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.57
XDH P47989 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.44
IKBKE Q14164 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAOB P27338 3/20 0.44
MAOA P21397 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HSP90AA1 P07900 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GRM2 Q14416 1/20 0.43
NSD2 O96028 1/20 0.43
ABL1 P00519 1/20 0.43
PPARG P37231 1/20 0.43
RIN1 Q13671 1/20 0.43
NCOR2 Q9Y618 1/20 0.43

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
SCHEMBL2961828 0.81 HPGD (0.47) L3MBTL1KDM4EMAPTMAPK1ALDH1A1
SCHEMBL2352489 0.77 GSTP1 (0.51) GSTP1XDHL3MBTL1NPC1RAB9A
SCHEMBL2347788 0.75 GSTP1 (0.53) GSTP1XDHL3MBTL1IKBKENPC1
SCHEMBL21889308 0.69 PRMT5 (0.47) XDHL3MBTL1IKBKENPC1RAB9A
SCHEMBL3998673 0.69 PPARD (0.56) GSTP1MAOBPPARGAR
SCHEMBL29978578 0.69 GSTP1 (0.71) GSTP1L3MBTL1NPC1RAB9AMAOB
SCHEMBL24933349 0.68 GSTP1 (0.50) GSTP1XDHMAOB
SCHEMBL6059698 0.68 GSTP1 (0.53) GSTP1NPC1RAB9AMAOBMAOA
SCHEMBL12648985 0.68 CTSS (0.52) XDHMAPK1HPGD
SCHEMBL197017 0.68 LMNA (0.72) GSTP1L3MBTL1NPC1RAB9AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536283-B1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA LLC (US) 2015-07-29 EP disclosed
US-9045461-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-06-02 US disclosed
US-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, LLC (US) 2014-07-24 US disclosed
US-8741900-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2014-06-03 US disclosed
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-08-01 US disclosed
US-8431575-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-04-30 US disclosed
EP-2536283-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TransTech Pharma, Inc (US) 2012-12-26 EP disclosed
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-09-22 US disclosed
WO-2011103091-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-08-25 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 (3 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-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, NOD2, GPBAR1 GSTP1 190/4885XDH 249/4885L3MBTL1 4798/4885
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF AGER, PSEN2, PSEN1 GSTP1 121/4885XDH 363/4885L3MBTL1 4864/4885
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, PSEN2, PSEN1 GSTP1 121/4885XDH 363/4885L3MBTL1 4864/4885

“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.