Sugi Predict

Sugi Predict / Compounds / SCHEMBL1490616

SCHEMBL1490616

SCHEMBL1490616

O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc2sccc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ GPR35 Q9HC97 1/20 0.47
▸ GAA P10253 3/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ POLB P06746 1/20 0.43
▸ PRSS12 P56730 2/20 0.43
▸ GLA P06280 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ANO1 Q5XXA6 10/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL12830995 0.89 GAA (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12830481 0.86 HDAC1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1490541 0.83 HDAC1 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1895995 0.81 ANO1 (0.64) ANO1
SCHEMBL12756599 0.81 ANO1 (0.41) PRSS12ANO1ALAD
SCHEMBL15479150 0.81 KMT2A (0.46) HDAC1HDAC8HDAC6ALDH1A1PRSS12
SCHEMBL12830495 0.81 DAO (0.47) ANO1MEN1NPC1RAB9AKMT2A
SCHEMBL1490509 0.80 KMT2A (0.55) HDAC1HDAC8HDAC6ALDH1A1ANO1
SCHEMBL12831044 0.78 ANO1 (0.47) POLBANO1RAB9A
SCHEMBL12756488 0.78 MEN1 (0.47) HDAC1ALDH1A1ANO1MEN1NPC1

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-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-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
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
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 — — US 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 HDAC3 1653/4885HDAC4 1630/4885HDAC1 2696/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HDAC3 1653/4885HDAC4 1630/4885HDAC1 2696/4885

“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.