SCHEMBL3624875

SCHEMBL3624875

CCCCCOc1ccc(/C=N/c2ccc(C(=O)OCC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.49
ACR P10323 1/20 0.49
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
PLA2G4B P0C869 1/20 0.48
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP19A1 P11511 1/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
RARB P10826 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL3624877 1.00 PRSS1 (0.49) PRSS1ACRTSHRTP53TDP1
SCHEMBL12416875 0.98 PRSS1 (0.51) PRSS1ACRTSHRTDP1L3MBTL1
SCHEMBL12306095 0.93 NPC1 (0.53) PRSS1ACRTSHRTP53PLA2G4B
SCHEMBL12416648 0.93 NPC1 (0.53) PRSS1ACRTSHRTP53PLA2G4B
SCHEMBL10398191 0.88 CA1 (0.61) TSHRTP53CA1CA2PLA2G4B
SCHEMBL10614171 0.87 MAPT (0.48) PRSS1ACRTSHRTP53CA1
SCHEMBL12417146 0.86 TP53 (0.68) TSHRTP53CA1CA2PLA2G4B
SCHEMBL10609526 0.86 MAPT (0.47) PRSS1ACRTSHRTP53CA1
SCHEMBL10610113 0.86 MAPT (0.47) PRSS1ACRTSHRTP53CA1
SCHEMBL10611960 0.86 MAPT (0.47) PRSS1ACRTSHRTP53CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20100302487-A1 PHASE COMPENSATION FILM DOW GLOBAL TECHNOLOGIES LLC 2010-12-02 US disclosed
US-20100294989-A1 SMALL SCALE FUNCTIONAL MATERIALS DOW GLOBAL TECHNOLOGIES LLC 2010-11-25 US disclosed
EP-2231760-A1 SMALL SCALE FUNCTIONAL MATERIALS Dow Global Technologies Inc. (US) 2010-09-29 EP disclosed
EP-2225604-A1 PHASE COMPENSATION FILM COMPRISING POLYMER NANOPARTICLES IMBIBED WITH LIQUID CRYSTAL MATERIAL Dow Global Technologies Inc. (US) 2010-09-08 EP disclosed
WO-2009085083-A1 PHASE COMPENSATION FILM COMPRISING POLYMER NANOPARTICLES IMBIBED WITH LIQUID CRYSTAL MATERIAL DOW GLOBAL TECHNOLOGIES INC. (US) 2009-07-09 WO disclosed
WO-2009085082-A1 SMALL SCALE FUNCTIONAL MATERIALS DOW GLOBAL TECHNOLOGIES INC. (US) 2009-07-09 WO 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

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-20080214547-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 PRSS1 1535/4885ACR 1111/4885TSHR 218/4885
US-20110172234-A1 METHODS AND COMPOSITIONS OF TRAIL-DEATH RECEPTOR AGONISTS/ACTIVATORS BID, BAD, MCL1 PRSS1 1535/4885ACR 1111/4885TSHR 218/4885

“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.