SCHEMBL21136458

SCHEMBL21136458

Fc1cccc(C(F)(F)F)c1CNCc1c(F)cccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
CD38 P28907 5/20 0.41
CYP3A4 P08684 1/20 0.41
KCNH2 Q12809 1/20 0.41
STIM1 Q13586 1/20 0.41
ORAI1 Q96D31 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
P2RX7 Q99572 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
PTGS2 P35354 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
KLKB1 P03952 2/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL14018390 0.85 CD38 (0.43) CD38CYP3A4KCNH2STIM1ORAI1
SCHEMBL31064406 0.80 HTT (0.55) HTTMEN1KMT2ASMN1; SMN2TAAR1
SCHEMBL1642074 0.78 CD38 (0.52) CD38CYP3A4KCNH2STIM1ORAI1
SCHEMBL138386 0.78 CA2 (0.42) CD38CYP3A4KCNH2STIM1ORAI1
SCHEMBL14405515 0.78 SLC6A2 (0.43) CD38CYP3A4KCNH2STIM1ORAI1
SCHEMBL145819 0.78 SLC6A2 (0.40) CD38CYP3A4KCNH2STIM1ORAI1
SCHEMBL488856 0.78 SLC6A2 (0.40) CD38CYP3A4KCNH2STIM1ORAI1
SCHEMBL2776951 0.78 STIM1 (0.42) CD38CYP3A4KCNH2STIM1ORAI1
SCHEMBL2703427 0.78 TAAR1 (0.42) CD38CYP3A4KCNH2STIM1ORAI1
SCHEMBL5407429 0.78 SLC6A2 (0.43) CD38CYP3A4KCNH2STIM1ORAI1

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-11377426-B2 Processes to produce elagolix SUZHOU PENGXU PHARMATECH CO., LTD. (CN) 2022-07-05 US disclosed
US-20210214318-A1 PROCESSES TO PRODUCE ELAGOLIX SUZHOU PENGXU PHARMATECH CO., LTD. (CN) 2021-07-15 US disclosed
WO-2019112968-A1 PROCESSES TO PRODUCE ELAGOLIX WANG PENG (US) 2019-06-13 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 (2 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-20210214318-A1 PROCESSES TO PRODUCE ELAGOLIX ELAVL1, ELOB, ELOVL3 HTT 767/4885CD38 2630/4885CYP3A4 1948/4885
US-11377426-B2 Processes to produce elagolix ELAVL1, ELOB, ELOVL3 HTT 767/4885CD38 2630/4885CYP3A4 1948/4885

“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.