SCHEMBL5752236

SCHEMBL5752236

NC(Cc1ccccc1C(F)(F)F)C(O)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
TACR1 P25103 2/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DPP4 P27487 4/20 0.39
DPP7 Q9UHL4 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
FAP Q12884 2/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
ATM Q13315 1/20 0.35
MAOB P27338 1/20 0.35
CHRM5 P08912 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL20340777 0.80 IDO1 (0.49) IDO1KDM4EALDH1A1TDP1DPP4
SCHEMBL5753316 0.80 PPARG (0.45) TACR1KDM4EALDH1A1HPGDTDP1
SCHEMBL5751574 0.75 KIF11 (0.41) PPARGPPARA
SCHEMBL5750053 0.74 TRPA1 (0.39) IDO1TACR1
SCHEMBL5751727 0.74 TRPA1 (0.39) IDO1TACR1
SCHEMBL6578585 0.74 TRPA1 (0.39) IDO1TACR1
SCHEMBL17407618 0.73 IDO1 (0.49) IDO1KDM4EALDH1A1TDP1DPP4
SCHEMBL5749249 0.73 TRPA1 (0.47) IDO1
Hydrochloric Acid SCHEMBL5751082 0.72 TACR1 (0.39) IDO1TACR1MAOB
SCHEMBL29049552 0.72 IDO1 (0.55) IDO1KDM4EALDH1A1TDP1DPP4

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
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 EP 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP IDO1 1076/4885TACR1 2291/4885KDM4E 244/4885

“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.