SCHEMBL5751228

SCHEMBL5751228

COc1ccc(C(O)C(Cc2ccc(C(F)(F)F)cc2)NC(=O)CCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 3/20 0.49
FFAR2 O15552 1/20 0.48
UTS2R Q9UKP6 4/20 0.48
KMT2A Q03164 1/20 0.47
CNR2 P34972 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 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
SCHEMBL5753142 0.91 LTA4H (0.53) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5753990 0.90 FFAR2 (0.55) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5753673 0.88 FFAR2 (0.52) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5749123 0.83 ALDH1A1 (0.59) CYP1A2CYP3A4CYP2C9CYP2C19GAA
SCHEMBL5749304 0.83 FFAR2 (0.49) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5755621 0.83 FFAR1 (0.48) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5751792 0.82 LMNA (0.49) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5755551 0.82 LMNA (0.49) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5751263 0.81 LMNA (0.46) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5749990 0.81 FFAR2 (0.49) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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 CYP1A2 853/4885CYP3A4 775/4885CYP2C9 1548/4885

“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.