SCHEMBL722021

SCHEMBL722021

O=CN(c1ccc(Br)s1)c1c(F)cccc1F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ THRB P10828 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
SCHEMBL724067 0.83 L3MBTL1 (0.30) —
SCHEMBL723005 0.74 IDO1 (0.31) —
SCHEMBL18516893 0.74 CES2 (0.38) CES2CES1THRB
SCHEMBL28161817 0.73 ERN1 (0.35) CES2CES1
SCHEMBL722509 0.70 ATM (0.33) —
SCHEMBL723200 0.69 RAB9A (0.51) —
SCHEMBL16482379 0.67 TDP1 (0.38) CES2CES1THRB
SCHEMBL8501774 0.66 KDM4E (0.40) CES2CES1
SCHEMBL17056004 0.64 ERN1 (0.36) CES2CES1THRB
SCHEMBL724069 0.64 ERN1 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591311-A Compounds that modulate intracellular calcium 钙医学公司 2022-06-07 — — CN disclosed
US-10336738-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2019-07-02 — — US disclosed
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 — — US disclosed
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 — — US disclosed
EP-2609095-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-07-03 — — EP disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 — — US disclosed
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 — — 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 (3 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-10336738-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 CES2 2132/4885CES1 2069/4885THRB 1606/4885
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CES2 2132/4885CES1 2069/4885THRB 1606/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CES2 2132/4885CES1 2069/4885THRB 1606/4885

“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.

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