SCHEMBL5749680

SCHEMBL5749680

CC(C)C(F)(F)Cc1ccc(CC(NC(=O)OC(C)(C)C)C(O)c2cccc(Cl)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.45
CTSL P07711 1/20 0.43
HTRA1 Q92743 1/20 0.40
CNR1 P21554 2/20 0.40
CNR2 P34972 1/20 0.40
ADRB3 P13945 6/20 0.39
ADRB1 P08588 5/20 0.39
ADRB2 P07550 4/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39

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
SCHEMBL5753489 0.81 PTGER4 (0.37) CTSLCNR1CNR2ADRB3ADRB1
SCHEMBL5754506 0.80 ADRB3 (0.37) CTSLCNR1CNR2ADRB3ADRB1
SCHEMBL5752650 0.79 ADRB3 (0.45) CNR1CNR2ADRB3ADRB1ADRB2
SCHEMBL27811718 0.77 S1PR3 (0.47) CTSLCNR1CNR2CYP2C19S1PR3
SCHEMBL30695653 0.77 S1PR3 (0.47) CTSLCNR1CNR2CYP2C19S1PR3
SCHEMBL5753171 0.76 ADRB3 (0.40) CNR1CNR2ADRB3ADRB1ADRB2
SCHEMBL7157741 0.76 ADRB3 (0.40) CNR1CNR2ADRB3ADRB1ADRB2
SCHEMBL3368765 0.74 CNR1 (0.61) CNR1CNR2
SCHEMBL13932828 0.74 CA1 (0.54) KLK5CNR1CNR2CYP1A2CYP2D6
SCHEMBL5755604 0.73 KLK5 (0.44) KLK5CTSLPSEN1PSEN2APH1B

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 KLK5 3906/4885CTSL 2240/4885HTRA1 587/4885

“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.