SCHEMBL6804635

SCHEMBL6804635

CCc1c(Oc2cccc(Sc3ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc3)c2)cccc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.39
TP53 P04637 3/20 0.36
ESR1 P03372 1/20 0.36
KCNH2 Q12809 1/20 0.36
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
CDK2 P24941 1/20 0.33
SLC6A4 P31645 1/20 0.33
RXFP1 Q9HBX9 2/20 0.33
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6804634 1.00 ACACB (0.39) ACACBTP53ESR1KCNH2MTNR1A
SCHEMBL6805228 0.93 ACACB (0.43) ACACBTP53ESR1KCNH2RXFP1
SCHEMBL6805231 0.93 ACACB (0.43) ACACBTP53ESR1KCNH2RXFP1
SCHEMBL6804172 0.84 ABCC9 (0.39) ACACBESR1KCNH2MTNR1BMRGPRX4
SCHEMBL6804169 0.84 ABCC9 (0.39) ACACBESR1KCNH2MTNR1BMRGPRX4
SCHEMBL6676771 0.84 ADRB1 (0.43) ACACBESR1KCNH2SLC6A4LMNA
SCHEMBL6676768 0.84 ADRB1 (0.43) ACACBESR1KCNH2SLC6A4LMNA
SCHEMBL6805230 0.81 ACACB (0.43) ACACBESR1KCNH2LMNA
SCHEMBL6805226 0.81 ACACB (0.43) ACACBESR1KCNH2LMNA
SCHEMBL6541155 0.81 MTNR1A (0.48) ACACBESR1KCNH2MTNR1AMTNR1B

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 1 patent. 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

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 1800/4885TP53 3318/4885ESR1 3850/4885

“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.