SCHEMBL29700447

SCHEMBL29700447

OB(O)c1ccc(C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.52
TRPV6 Q9H1D0 2/20 0.41
ORAI1 Q96D31 1/20 0.41
ORAI2 Q96SN7 1/20 0.41
ORAI3 Q9BRQ5 1/20 0.41
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
ENPP2 Q13822 4/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
TTR P02766 1/20 0.36
TSHR P16473 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 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
SCHEMBL3789433 1.00 MGLL (0.52) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL24425080 0.88 MGLL (0.45) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL7895094 0.83 MGLL (0.48) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL29956269 0.83 MGLL (0.48) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL206793 0.83 MGLL (0.48) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL1231962 0.83 KIF11 (0.48) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL29525231 0.83 MGLL (0.48) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL177526 0.81 TTR (0.50) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL3790569 0.81 MGLL (0.47) MGLLTRPV6ORAI1ORAI2ORAI3
SCHEMBL20475565 0.81 MGLL (0.47) MGLLTRPV6ORAI1ORAI2ORAI3

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-12240855-B2 Pyrrolopyrazole derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2025-03-04 US disclosed
US-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-06-16 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 (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-20220185815-A1 PYRROLOPYRAZOLE DERIVATIVE PTDSS1, PTDSS2, SMPD1 MGLL 2748/4885TRPV6 1237/4885ORAI1 2414/4885
US-12240855-B2 Pyrrolopyrazole derivative PTDSS1, PTDSS2, SMPD1 MGLL 2748/4885TRPV6 1237/4885ORAI1 2414/4885

“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.