SCHEMBL6831079

SCHEMBL6831079

NC(Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.60
PPARA Q07869 1/20 0.60
GRB2 P62993 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
HTR2B P41595 1/20 0.50
SLC7A5 Q01650 5/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
FAAH O00519 1/20 0.48
MAPK14 Q16539 1/20 0.48
TPH1 P17752 1/20 0.48
GRIA2 P42262 1/20 0.48
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
PTPN1 P18031 1/20 0.47

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
Hydrochloric Acid SCHEMBL7090642 0.99 PPARG (0.58) PPARGPPARAGRB2HTR2AHTR2C
SCHEMBL44155 0.88 HTR2A (0.64) PPARGPPARAGRB2HTR2AHTR2C
SCHEMBL29478401 0.88 HTR2A (0.64) PPARGPPARAGRB2HTR2AHTR2C
SCHEMBL44156 0.88 HTR2A (0.64) PPARGPPARAGRB2HTR2AHTR2C
SCHEMBL503602 0.88 HTR2A (0.64) PPARGPPARAGRB2HTR2AHTR2C
SCHEMBL29557134 0.88 HTR2A (0.64) PPARGPPARAGRB2HTR2AHTR2C
Hydrochloric Acid SCHEMBL6775619 0.86 HTR2A (0.62) PPARGPPARAGRB2HTR2AHTR2C
Hydrochloric Acid SCHEMBL10584250 0.86 HTR2A (0.62) PPARGPPARAGRB2HTR2AHTR2C
Hydrochloric Acid SCHEMBL6775624 0.86 HTR2A (0.62) PPARGPPARAGRB2HTR2AHTR2C
SCHEMBL7444494 0.85 SLC7A5 (0.64) PPARGPPARAHTR2ASLC7A5ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1386166-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-02-04 EP disclosed
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant QUEEN'S UNIVERSITY AT KINGSTON AND NEUROCHEM, INC. 2003-10-16 US disclosed
WO-2002073208-A2 ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-09-19 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-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 PPARG 2404/4885PPARA 1560/4885GRB2 4420/4885

“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.