Sugi Predict

Sugi Predict / Compounds / SCHEMBL16636755

SCHEMBL16636755

SCHEMBL16636755

CCc1nn(-c2nccs2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 5/20 0.45
▸ STIM1 Q13586 4/20 0.37
▸ ORAI1 Q96D31 4/20 0.37
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33

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
SCHEMBL16636486 0.91 IL2 (0.37) IL2STIM1ORAI1HTTMEN1
SCHEMBL16636877 0.90 SMN1; SMN2 (0.38) IL2STIM1ORAI1HTTMEN1
SCHEMBL16636656 0.88 IL2 (0.49) IL2STIM1ORAI1JAK2JAK1
SCHEMBL17997393 0.85 CYP1A2 (0.38) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL16636716 0.84 IL2 (0.45) IL2STIM1ORAI1JAK2JAK1
SCHEMBL16636934 0.84 IL2 (0.47) IL2STIM1ORAI1JAK2JAK1
SCHEMBL16636946 0.83 IL2 (0.46) IL2STIM1ORAI1JAK2JAK1
SCHEMBL16636701 0.82 IL2 (0.42) IL2STIM1ORAI1JAK2JAK1
SCHEMBL16636502 0.82 JAK2 (0.40) IL2STIM1ORAI1JAK2JAK1
SCHEMBL16644206 0.80 KDM4E (0.33) KMT2AHCRTR1HCRTR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 — — US disclosed
US-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 — — US disclosed
US-9611263-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2017-04-04 — — US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 — — US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 — — US disclosed
US-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2016-08-11 — — US disclosed
WO-2015054283-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2015-04-16 — — WO disclosed
WO-2015054283-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2015-04-16 — — 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-20160229845-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885STIM1 17/4885ORAI1 1/4885

“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.