SCHEMBL7325634

SCHEMBL7325634

Cc1nc(C)c(-c2cc(C(F)(F)F)n(-c3ccc(NC(=O)c4ccncc4F)cc3)n2)s1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 4/20 0.66
TRPC3 Q13507 2/20 0.66
STIM1 Q13586 2/20 0.66
TRPC1 P48995 1/20 0.66
EPHX2 P34913 7/20 0.52
CRACR2A Q9BSW2 4/20 0.52
TRPC5 Q9UL62 1/20 0.45
TP53 P04637 1/20 0.41
GPBAR1 Q8TDU6 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NR3C1 P04150 1/20 0.38

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
SCHEMBL7322966 0.83 ORAI1 (0.76) ORAI1TRPC3STIM1TRPC1EPHX2
SCHEMBL30096576 0.80 ORAI1 (1.00) ORAI1TRPC3STIM1TRPC1EPHX2
SCHEMBL7325729 0.80 ORAI1 (1.00) ORAI1TRPC3STIM1TRPC1EPHX2
SCHEMBL7327546 0.73 NPC1 (0.41) ORAI1TRPC3TRPC5TP53
SCHEMBL7326456 0.73 ORAI1 (0.66) ORAI1TRPC3STIM1TRPC1EPHX2
SCHEMBL7325477 0.71 ORAI1 (0.79) ORAI1TRPC3STIM1TRPC1EPHX2
SCHEMBL7319538 0.71 ORAI1 (0.79) ORAI1TRPC3STIM1TRPC1EPHX2
SCHEMBL7325966 0.71 STIM1 (0.64) ORAI1TRPC3STIM1TRPC1EPHX2
SCHEMBL7324706 0.71 ORAI1 (0.71) ORAI1TRPC3STIM1TRPC1CRACR2A
SCHEMBL7320569 0.71 ORAI1 (0.75) ORAI1TRPC3STIM1TRPC1CRACR2A

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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 US claimed
US-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION ABBOTT LABORATORIES 2001-11-22 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-20010044445-A1 AZOLE INHIBITORS OF CYTOKINE PRODUCTION IL5, IL2, IL4 ORAI1 3522/4885TRPC3 4362/4885STIM1 2302/4885

“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.