SCHEMBL6450447

SCHEMBL6450447

COc1ccc(-c2ccc(C(F)(F)CCC(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.50
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PDE4B Q07343 1/20 0.46
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
PPARD Q03181 1/20 0.44
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.44
TP53 P04637 1/20 0.44
FFAR1 O14842 2/20 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
SCHEMBL6451526 0.82 MAPK1 (0.41) PTGDR2RXRARXRBRXRGMAPT
SCHEMBL7825959 0.79 NPC1 (0.50) MAPTKDM4EALDH1A1PKMNPC1
SCHEMBL7061525 0.78 PTGDR2 (0.44) PTGDR2RXRARXRBRXRGPKM
SCHEMBL28271027 0.78 NPC1 (0.49) MAPTKDM4EALDH1A1PKMNPC1
SCHEMBL6450429 0.77 PTGDR2 (0.51) PTGDR2RXRARXRBRXRGMAPT
SCHEMBL8189292 0.76 NPC1 (0.48) MAPTKDM4EALDH1A1PKMNPC1
SCHEMBL7241440 0.76 NPC1 (0.48) MAPTKDM4EALDH1A1PKMNPC1
SCHEMBL7062579 0.76 PPARG (0.45) PTGDR2KDM4EALDH1A1PPARD
SCHEMBL23232179 0.74 ALDH1A1 (0.46) KDM4EALDH1A1NPC1RAB9AHTT
SCHEMBL19318218 0.74 ALDH1A1 (0.59) ALDH1A1NPC1RAB9APDE4BHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030139453-A1 Difluorobutyric acid metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-07-24 US claimed
EP-1265865-A2 DIFLUOROBUTYRIC ACID DERIVATIVES AND THEIR USE AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-12-18 EP claimed
WO-2001070693-A2 DIFLUOROBUTYRIC ACID DERIVATIVES AND THEIR USE AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2001-09-27 WO claimed
US-6852751-B2 Difluorobutyric acid metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY (US) 2005-02-08 US disclosed
US-20030139453-A1 Difluorobutyric acid metalloprotease inhibitors THE PROCTER & GAMBLE COMPANY 2003-07-24 US disclosed
EP-1265865-A2 DIFLUOROBUTYRIC ACID DERIVATIVES AND THEIR USE AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2002-12-18 EP disclosed
WO-2001070693-A2 DIFLUOROBUTYRIC ACID DERIVATIVES AND THEIR USE AS METALLOPROTEASE INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2001-09-27 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-20030139453-A1 Difluorobutyric acid metalloprotease inhibitors DPEP1, TMPRSS15, FAP PTGDR2 769/4885RXRA 3683/4885RXRB 2745/4885

“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.