SCHEMBL5753673

SCHEMBL5753673

O=C(CCc1ccccc1)NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
CNR2 P34972 2/20 0.47
UTS2R Q9UKP6 3/20 0.46
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
BACE1 P56817 1/20 0.43
UGCG Q16739 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL5751792 0.94 LMNA (0.49) FFAR2CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5755551 0.94 LMNA (0.49) FFAR2CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5753990 0.93 FFAR2 (0.55) FFAR2CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5751263 0.93 LMNA (0.46) FFAR2CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5753769 0.89 CNR2 (0.61) FFAR2CYP3A4CYP2C9CYP2C19CNR2
SCHEMBL5749990 0.89 FFAR2 (0.49) FFAR2CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5749304 0.89 FFAR2 (0.49) FFAR2CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5753142 0.89 LTA4H (0.53) FFAR2CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5751228 0.88 CYP1A2 (0.49) FFAR2CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL5753708 0.87 NOS3 (0.43) CNR2UTS2RLMNAUGCG

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 FFAR2 184/4885CYP1A2 853/4885CYP3A4 775/4885

“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.