SCHEMBL6917853

SCHEMBL6917853

C[C@H](Cc1ccc(Sc2c(Cl)cccc2C=O)cc1)NC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
KCNH2 Q12809 1/20 0.41
ACACB O00763 9/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NOS2 P35228 2/20 0.34
TAAR1 Q96RJ0 1/20 0.33
CTSS P25774 1/20 0.32
AKR1B1 P15121 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32

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
SCHEMBL6804816 0.80 ESR1 (0.41) ESR1KCNH2ACACBNPC1RAB9A
SCHEMBL6801169 0.79 AGBL2 (0.39) ESR1KCNH2ACACBNPC1RAB9A
SCHEMBL6804725 0.79 ESR1 (0.43) ESR1KCNH2ACACBNPC1RAB9A
SCHEMBL6806522 0.76 ESR1 (0.36) ESR1KCNH2ACACBNPC1RAB9A
SCHEMBL6809647 0.76 ESR1 (0.36) ESR1KCNH2ACACBNPC1RAB9A
SCHEMBL6679787 0.75 ESR1 (0.47) ESR1KCNH2ACACBNPC1RAB9A
SCHEMBL6541556 0.75 ESR1 (0.47) ESR1KCNH2ACACBNPC1RAB9A
SCHEMBL6805895 0.75 ESR1 (0.47) ESR1KCNH2ACACBNPC1RAB9A
SCHEMBL6682539 0.74 ESR1 (0.46) ESR1KCNH2ACACBNPC1RAB9A
SCHEMBL6682534 0.74 ESR1 (0.46) ESR1KCNH2ACACBNPC1RAB9A

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 ESR1 3850/4885KCNH2 184/4885ACACB 1800/4885

“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.