Sugi Predict

Sugi Predict / Compounds / SCHEMBL10201247

SCHEMBL10201247

SCHEMBL10201247

CCc1cc(-c2sc(C(=O)Nc3c(F)cccc3F)cc2[N+](=O)[O-])n(CC)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 3/20 0.38
▸ ORAI1 Q96D31 3/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ LMNA P02545 7/20 0.35
▸ SMN1; SMN2 Q16637 6/20 0.35
▸ HTT P42858 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ USP7 Q93009 1/20 0.34
▸ USP47 Q96K76 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ IL2 P60568 1/20 0.33
▸ GAA P10253 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
SCHEMBL10201248 0.90 SMN1; SMN2 (0.47) STIM1ORAI1MEN1KMT2ALMNA
SCHEMBL10201208 0.89 STIM1 (0.43) STIM1ORAI1MEN1KMT2ALMNA
SCHEMBL10201262 0.87 STIM1 (0.40) STIM1ORAI1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10201245 0.85 STIM1 (0.38) STIM1ORAI1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10201249 0.83 POLB (0.46) STIM1ORAI1MEN1KMT2ALMNA
SCHEMBL10201213 0.79 SMN1; SMN2 (0.45) STIM1ORAI1MEN1KMT2ALMNA
SCHEMBL10201524 0.79 HDAC3 (0.46) STIM1ORAI1ALDH1A1NPC1RAB9A
SCHEMBL10201224 0.77 STIM1 (0.57) STIM1ORAI1LMNASMN1; SMN2HTT
SCHEMBL10201231 0.77 STIM1 (0.47) STIM1ORAI1ALDH1A1RAB9AIL2
SCHEMBL10201259 0.77 SMN1; SMN2 (0.51) STIM1ORAI1MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-03 — — 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
US-9079891-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-14 — — US disclosed
WO-2012027710-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2012-03-01 — — WO disclosed
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-03-01 — — 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-20150344469-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885MEN1 2958/4885
US-20120053210-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 STIM1 17/4885ORAI1 1/4885MEN1 2958/4885

“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.