SCHEMBL7319703

SCHEMBL7319703

FC(F)(F)c1cc(C(F)(F)F)n(-c2ccc(C=Cc3ccccc3Cl)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.45
PTGS1 P23219 3/20 0.43
PTGS2 P35354 2/20 0.43
TP53 P04637 3/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
RELA Q04206 1/20 0.41
NFE2L2 Q16236 1/20 0.41
TRPC3 Q13507 3/20 0.41
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHAT P28329 1/20 0.39
TRPC1 P48995 1/20 0.38
STIM1 Q13586 1/20 0.38
TRPC5 Q9UL62 1/20 0.37

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
SCHEMBL7319698 1.00 ORAI1 (0.45) ORAI1PTGS1PTGS2TP53CYP1A1
SCHEMBL7323496 0.80 ORAI1 (0.58) ORAI1TP53CYP1A2RELATRPC3
SCHEMBL7323486 0.80 ORAI1 (0.58) ORAI1TP53CYP1A2RELATRPC3
SCHEMBL7570850 0.75 PTGS1 (0.65) ORAI1PTGS1PTGS2TP53CYP1A2
SCHEMBL3561092 0.74 TRPC3 (0.51) ORAI1PTGS1PTGS2TP53TRPC3
SCHEMBL7320721 0.74 PDPK1 (0.42) ORAI1PTGS1TP53TRPC3MAPT
SCHEMBL7322669 0.74 PDPK1 (0.42) ORAI1PTGS1TP53TRPC3MAPT
SCHEMBL7320709 0.74 PDPK1 (0.42) ORAI1PTGS1TP53TRPC3MAPT
SCHEMBL7326481 0.71 ORAI1 (0.51) ORAI1PTGS1PTGS2TP53TRPC3
SCHEMBL7243155 0.70 PTGS1 (0.45) ORAI1PTGS1PTGS2TP53TRPC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US claimed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP claimed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 WO claimed
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US disclosed
EP-1068187-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 2001-01-17 EP disclosed
WO-1999051580-A1 PYRAZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES (US) 1999-10-14 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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 ORAI1 3522/4885PTGS1 197/4885PTGS2 158/4885

“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.