SCHEMBL12831283

SCHEMBL12831283

Cc1ccc(-c2scc(NC(=O)c3c(O)ccc4ccccc34)c2C(=O)O)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ KDM4C Q9H3R0 1/20 0.36
▸ METAP2 P50579 2/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ TAS1R2 Q8TE23 1/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.33
▸ ANO1 Q5XXA6 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ METAP1 P53582 1/20 0.33
▸ IDO1 P14902 1/20 0.32
▸ SOS1 Q07889 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
SCHEMBL12756866 0.88 MEN1 (0.44) HTTKDM4CMEN1KMT2ANTRK1
SCHEMBL6925570 0.84 ANO1 (0.46) ALOX15HTTMEN1KMT2ANPC1
SCHEMBL12756865 0.83 POLB (0.49) HTTMEN1KMT2ANTRK1NPC1
SCHEMBL12756867 0.82 GFER (0.45) MEN1KMT2ANPC1ANO1ALDH1A1
SCHEMBL12756868 0.81 NPC1 (0.38) HTTMEN1KMT2ANTRK1NPC1
SCHEMBL12830971 0.79 AKR1C3 (0.42) NPC1POLB
SCHEMBL12756907 0.79 LMNA (0.42) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL1490543 0.79 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2MEN1KMT2A
SCHEMBL12756620 0.79 NTRK1 (0.36) HTTKDM4CMEN1KMT2ANTRK1
SCHEMBL1490580 0.78 KCNMA1 (0.47) HTTTAS1R3TAS1R1TAS1R2NPC1

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 3 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
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALOX15 1014/4885HTT 809/4885KDM4C 4521/4885

“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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