SCHEMBL6677138

SCHEMBL6677138

COc1ccc(Sc2ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.52
FPR2 P25090 1/20 0.49
LDHA P00338 1/20 0.44
ESR1 P03372 1/20 0.43
KCNH2 Q12809 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL6677141 1.00 ACACB (0.52) ACACBFPR2LDHAESR1KCNH2
SCHEMBL1412207 0.92 ACACB (0.59) ACACBFPR2LDHAESR1KCNH2
SCHEMBL6676699 0.89 MTNR1A (0.48) ACACBESR1KCNH2
SCHEMBL6541155 0.89 MTNR1A (0.48) ACACBESR1KCNH2
SCHEMBL6679787 0.86 ESR1 (0.47) ACACBESR1KCNH2
SCHEMBL6541556 0.86 ESR1 (0.47) ACACBESR1KCNH2
SCHEMBL6805895 0.86 ESR1 (0.47) ACACBESR1KCNH2
SCHEMBL6806643 0.84 ACACB (0.41) ACACBFPR2
SCHEMBL6541208 0.84 CNR1 (0.56) ACACBFPR2LDHA
SCHEMBL6804725 0.82 ESR1 (0.43) ACACBESR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 US disclosed
WO-2004045610-A1 AMINOALCOHOL DERIVATIVES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-06-03 WO 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 ACACB 1800/4885FPR2 998/4885LDHA 2720/4885

“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.