Sugi Predict

Sugi Predict / Compounds / SCHEMBL1490260

SCHEMBL1490260

SCHEMBL1490260

Cc1ccc(-c2scc(NC(=O)c3nc4ccccc4o3)c2C(=O)O)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ FAAH O00519 1/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ TP53 P04637 2/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ HPGD P15428 4/20 0.35
▸ MAPT P10636 4/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ GLO1 Q04760 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ BUB1 O43683 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL12756333 0.91 FAAH (0.39) RAB9ANPC1FAAHKMT2AMEN1
SCHEMBL12831052 0.89 GALK1 (0.37) RAB9ANPC1TP53ALDH1A1MAPT
SCHEMBL12830461 0.89 DAGLA (0.36) RAB9ANPC1TP53ALDH1A1MAPT
SCHEMBL12756392 0.89 MEN1 (0.41) RAB9ANPC1FAAHKMT2AMEN1
SCHEMBL12830121 0.89 FAAH (0.38) RAB9ANPC1FAAHKMT2AMEN1
SCHEMBL1490278 0.89 NPC1 (0.41) RAB9ANPC1FAAHKMT2AMEN1
SCHEMBL12830948 0.88 MAPT (0.33) NPC1KMT2AMEN1TP53ALDH1A1
SCHEMBL12830950 0.88 PTGFR (0.36) KMT2AMEN1MAPTRXFP1
SCHEMBL12830990 0.88 SORT1 (0.35) RAB9ANPC1KMT2AMEN1MAPT
SCHEMBL12830949 0.88 MAPT (0.41) RAB9ANPC1KMT2AMEN1TP53

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
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
US-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 — — US disclosed
EP-2477982-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2012-07-25 — — EP disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — WO disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — WO disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 — — 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885FAAH 1909/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885FAAH 1909/4885

“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.