SCHEMBL12417242

SCHEMBL12417242

O=C(O)CCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.64
▸ POLB P06746 4/20 0.60
▸ KMT2A Q03164 5/20 0.58
▸ MAPT P10636 5/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ MEN1 O00255 4/20 0.58
▸ RECQL P46063 2/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ APEX1 P27695 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ CISD1 Q9NZ45 2/20 0.56
▸ MAOA P21397 1/20 0.56
▸ MAP3K5 Q99683 3/20 0.55
▸ PLA2G1B P04054 1/20 0.54
▸ ATG4B Q9Y4P1 1/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ PAX8 Q06710 1/20 0.54
▸ GAA P10253 1/20 0.53

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
SCHEMBL13236136 0.96 FFAR1 (0.71) FFAR1POLBKMT2AMAPTKDM4E
SCHEMBL9920145 0.91 FFAR1 (0.53) FFAR1POLBKMT2AMAPTKDM4E
SCHEMBL13780771 0.90 MMP1 (0.54) FFAR1POLBALDH1A1NPC1RAB9A
SCHEMBL1903795 0.87 MMP3 (0.55) POLBKMT2AMAPTKDM4EMEN1
SCHEMBL1903789 0.87 MMP3 (0.55) POLBKMT2AMAPTKDM4EMEN1
SCHEMBL1903792 0.87 MMP3 (0.55) POLBKMT2AMAPTKDM4EMEN1
SCHEMBL26794059 0.87 FFAR1 (0.59) FFAR1POLBKMT2AMAPTKDM4E
SCHEMBL24518535 0.86 FFAR1 (0.56) FFAR1MAPTKDM4EMAP3K5NPC1
SCHEMBL29727858 0.86 FFAR1 (0.56) FFAR1MAPTKDM4EMAP3K5NPC1
SCHEMBL863491 0.85 FFAR1 (0.48) FFAR1POLBKMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140105898-A1 APOPTOSIS-INDUCING MOLECULES AND USES THEREFOR Istituto Di Ricovero E Cura A Carattere Scientific Materno-Infantile Burlo Garo (IT) 2014-04-17 — — US disclosed
US-20140105898-A1 APOPTOSIS-INDUCING MOLECULES AND USES THEREFOR Istituto Di Ricovero E Cura A Carattere Scientific Materno-Infantile Burlo Garo (IT) 2014-04-17 — — US disclosed
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 — — US disclosed
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-07-14 — — US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 — — US disclosed
US-7915245-B2 Using small molecules as binding ligands, for the recruitment of Fas-associated death domain protein, activation of death-inducing signaling complex, caspase-8, and apoptosis in malignant cells; anticarcinogens, antitumor agents; enhanced cellular differentiation, minimizing cytolysis to healthy cells THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-03-29 — — US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 — — US disclosed
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS UNIVERSITY OF MARYLAND, BALTIMORE 2008-09-04 — — US disclosed
WO-2008094319-A2 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYTEM (US) 2008-08-07 — — 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 (3 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-20140105898-A1 APOPTOSIS-INDUCING MOLECULES AND USES THEREFOR TNFRSF1A, BAD, TNFSF11 FFAR1 15/4885POLB 957/4885KMT2A 4565/4885
US-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 FFAR1 132/4885POLB 4419/4885KMT2A 2278/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 FFAR1 132/4885POLB 4419/4885KMT2A 2278/4885

“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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