SCHEMBL5751263

SCHEMBL5751263

O=C(CCCCc1ccccc1)NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CTSG P08311 1/20 0.45
CMA1 P23946 1/20 0.45
FFAR2 O15552 1/20 0.45
CNR2 P34972 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMPD2 O60906 1/20 0.43
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 4/20 0.42
HDAC8 Q9BY41 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41

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 0.97 LMNA (0.49) LMNACTSGCMA1FFAR2CNR2
SCHEMBL5755551 0.97 LMNA (0.49) LMNACTSGCMA1FFAR2CNR2
SCHEMBL5753673 0.93 FFAR2 (0.52) LMNAFFAR2CNR2CYP1A2CYP3A4
SCHEMBL5752879 0.90 LMNA (0.56) LMNACTSGCMA1CNR2HDAC1
SCHEMBL5752002 0.87 BACE1 (0.48) LMNACYP1A2CYP3A4TSHRCYP2C19
SCHEMBL5753769 0.86 CNR2 (0.61) FFAR2CNR2CYP3A4CYP2C9CYP2C19
SCHEMBL5753990 0.86 FFAR2 (0.55) FFAR2CNR2CYP1A2CYP3A4CYP2C9
SCHEMBL5753708 0.84 NOS3 (0.43) LMNACNR2UGCGUTS2R
SCHEMBL5750813 0.83 SMN1; SMN2 (0.46) LMNATSHRUGCG
SCHEMBL5751798 0.83 SIGMAR1 (0.42) CYP1A2CYP3A4TSHRCYP2C19PLAAT3

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 LMNA 2989/4885CTSG 3626/4885CMA1 462/4885

“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.