Sugi Predict

Sugi Predict / Compounds / SCHEMBL1701463

SCHEMBL1701463

SCHEMBL1701463

O=C(Nc1cnc(-c2cc3c(cc2Cl)CCO3)cn1)c1ccccc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 1/20 0.51
▸ ORAI1 Q96D31 1/20 0.51
▸ ORAI2 Q96SN7 1/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ NPC1 O15118 6/20 0.43
▸ RAB9A P51151 6/20 0.43
▸ TP53 P04637 4/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ GLA P06280 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.42
▸ IL2 P60568 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KAT6A Q92794 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ ABL1 P00519 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
SCHEMBL12241882 0.96 STIM1 (0.51) STIM1ORAI1ORAI2SMN1; SMN2TDP1
SCHEMBL1701029 0.91 IL2 (0.49) STIM1ORAI1ORAI2SMN1; SMN2NPC1
SCHEMBL12155654 0.90 STIM1 (0.57) STIM1ORAI1ORAI2SMN1; SMN2TDP1
SCHEMBL12156242 0.90 STIM1 (0.61) STIM1ORAI1ORAI2SMN1; SMN2NPC1
SCHEMBL2546978 0.88 SMN1; SMN2 (0.54) STIM1ORAI1SMN1; SMN2TDP1NPC1
SCHEMBL12155675 0.87 SMN1; SMN2 (0.47) STIM1ORAI1ORAI2SMN1; SMN2TDP1
SCHEMBL12156244 0.86 STIM1 (0.61) STIM1ORAI1ORAI2SMN1; SMN2NPC1
SCHEMBL1701266 0.84 SMN1; SMN2 (0.54) STIM1ORAI1SMN1; SMN2TDP1NPC1
SCHEMBL1702130 0.82 STIM1 (0.73) STIM1ORAI1ORAI2SMN1; SMN2TDP1
SCHEMBL12155685 0.82 SMN1; SMN2 (0.51) STIM1ORAI1ORAI2SMN1; SMN2TDP1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905248-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2024-02-20 — — US disclosed
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 — — US disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-20130345240-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-12-26 — — US disclosed
US-20130345193-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-12-26 — — US disclosed
US-8546403-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-10-01 — — US disclosed
EP-2563776-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2013-03-06 — — EP disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — WO disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — WO disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — 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 (7 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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20130345193-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-11905248-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885
US-20130345240-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885ORAI2 19/4885

“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.