SCHEMBL863491

SCHEMBL863491

O=CCCCN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.48
▸ POLB P06746 2/20 0.43
▸ CISD1 Q9NZ45 2/20 0.42
▸ MAOA P21397 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PLA2G1B P04054 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL12417242 0.85 FFAR1 (0.64) FFAR1POLBCISD1MAOAALDH1A1
SCHEMBL9920145 0.85 FFAR1 (0.53) FFAR1POLBCISD1MAOAALDH1A1
SCHEMBL13236136 0.84 FFAR1 (0.71) FFAR1POLBCISD1MAOAALDH1A1
SCHEMBL7858386 0.83 ALDH1A1 (0.53) POLBALDH1A1LMNATHRBHTT
SCHEMBL26661588 0.83 FFAR1 (0.52) FFAR1POLBCISD1MAOAALDH1A1
SCHEMBL29727851 0.83 FFAR1 (0.52) FFAR1POLBCISD1MAOALMNA
SCHEMBL26794059 0.83 FFAR1 (0.59) FFAR1POLBCISD1MAOALMNA
SCHEMBL26794062 0.83 FFAR1 (0.52) FFAR1POLBCISD1MAOALMNA
SCHEMBL26661589 0.83 FFAR1 (0.52) FFAR1POLBCISD1MAOAALDH1A1
SCHEMBL1903795 0.81 MMP3 (0.55) POLBALDH1A1KDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143269-B2 Inhibitors of store operated calcium release CALCIMEDICA, INC. (US) 2012-03-27 — — US disclosed
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-04-08 — — 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 (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-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 FFAR1 1194/4885POLB 4760/4885CISD1 2042/4885

“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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