SCHEMBL4583289

SCHEMBL4583289

COC(=O)c1ccc(-c2ccc(CC(C)(C)NC(=O)C(F)(F)F)cc2)cc1SC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.41
ADRB1 P08588 4/20 0.37
BDKRB1 P46663 4/20 0.35
ADRB2 P07550 1/20 0.33
BRS3 P32247 1/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
MMP12 P39900 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
KDM4E B2RXH2 1/20 0.32
S1PR1 P21453 1/20 0.32
CFTR P13569 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ACACB O00763 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31

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
SCHEMBL4584800 0.72 ADRB3 (0.41) ADRB3ADRB1ADRB2ALDH1A1CYP2C9
SCHEMBL4582748 0.72 MAPT (0.42) ADRB3ADRB1KDM4ECYP2C9CYP2C19
SCHEMBL4584671 0.70 ADRB3 (0.41) ADRB3ADRB1KDM4ECYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4584576 0.67 ADRB3 (0.72) ADRB3ADRB1ADRB2
Hydrochloric Acid SCHEMBL4584582 0.67 ADRB3 (0.72) ADRB3ADRB1ADRB2
SCHEMBL4583959 0.67 ADRB3 (0.42) ADRB3ADRB1
SCHEMBL6540252 0.67 ALDH1A1 (0.45) MMP2MMP8MMP12ADAMTS5KDM4E
SCHEMBL6330677 0.66 CYP3A4 (0.64) MMP8ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL4585148 0.66 ADRB3 (0.43) ADRB3ADRB1ADRB2KDM4EALDH1A1
SCHEMBL4585841 0.66 NR4A2 (0.46) KDM4EALDH1A1CYP3A4CYP2C9CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 US 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 ADRB3 86/4885ADRB1 70/4885BDKRB1 427/4885

“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.