SCHEMBL4138843

SCHEMBL4138843

O=C(O)COc1ccc(F)cc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.71
PTGDR2 Q9Y5Y4 11/20 0.55
CYSLTR1 Q9Y271 1/20 0.50
KEAP1 Q14145 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HTT P42858 1/20 0.47
PTGDR Q13258 1/20 0.47
AKR1B1 P15121 2/20 0.46
AKR1A1 P14550 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL718460 0.87 PTGDR2 (0.68) PKMPTGDR2CYSLTR1TDP1HTT
SCHEMBL31468805 0.86 PKM (0.61) PKMPTGDR2CYSLTR1KEAP1TDP1
SCHEMBL11771510 0.84 PKM (0.58) PKMTDP1SMN1; SMN2L3MBTL1
SCHEMBL22176183 0.84 PKM (0.59) PKMPTGDR2CYSLTR1TDP1HTT
SCHEMBL18045699 0.84 PKM (0.72) PKMPTGDR2TDP1KDM4EPTGDR
SCHEMBL11773898 0.83 PKM (0.56) PKMPTGDR2TDP1KDM4EHTT
SCHEMBL1188345 0.83 TSHR (0.56) PKMKEAP1KDM4EGLAL3MBTL1
SCHEMBL31078354 0.83 TSHR (0.56) PKMKEAP1KDM4EGLAL3MBTL1
SCHEMBL2112042 0.83 PKM (1.00) PKMPTGDR2TDP1KDM4EPTGDR
SCHEMBL2949180 0.82 PKM (0.70) PKMPTGDR2TDP1PTGDRAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE VENKATESAN ARANAPAKAM MUDUMBAI 2009-02-26 US disclosed
US-7276603-B2 serotonin receptor antagonists such as 8-{4-[2-(1-benzofuran-3-yl)ethyl]-1-piperazinyl}-6-fluoroquinoline, used for treatment and/or prevention of depression, anxiety and cognitive deficits arising from Alzheimer's disease, neurodegenerative disorders, schizophrenia and prostate cancer WYETH (US) 2007-10-02 US disclosed
US-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2007-09-27 US disclosed
US-7235569-B2 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH (US) 2007-06-26 US disclosed
EP-1641785-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIBITORS Wyeth (US) 2006-04-05 EP disclosed
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use WYETH 2005-03-17 US disclosed
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use WYETH 2005-01-06 US disclosed
WO-2004099191-A2 BENZOFURANYL-AND BENZOTHIENYL-PIPERAZINYL QUINOLINES AS SEROTONIN REUPTAKE INHIB ITORS WYETH (US) 2004-11-18 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 (4 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-20070225319-A1 PIPERIDINYL INDOLE AND TETROHYDROPYRIDINYL INDOLE DERIVATIVES AND METHODS OF THEIR USE TPH1, TPH2, HTR3A PKM 1661/4885PTGDR2 280/4885CYSLTR1 3304/4885
US-20090054454-A1 BENZOFURANYL- AND BENZOTHIENYL- PIPERAZINYL QUINOLINES AND METHODS OF THEIR USE TPH1, TPH2, HTR2C PKM 1078/4885PTGDR2 1365/4885CYSLTR1 2507/4885
US-20050059673-A1 Benzofuranyl-and benzothienyl-piperazinyl quinolines and methods of their use TPH1, TPH2, HTR2C PKM 1078/4885PTGDR2 1365/4885CYSLTR1 2507/4885
US-20050004162-A1 Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use TPH1, TPH2, HTR4 PKM 1530/4885PTGDR2 342/4885CYSLTR1 3348/4885

“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.