Rocepafant

Rocepafant

SCHEMBL1065775

COc1ccc(NC(=S)N2CCc3c(sc4c3C(c3ccccc3Cl)=NCc3nnc(C)n3-4)C2)cc1

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 13/20 0.52
TBXAS1 P24557 3/20 0.47
OPRK1 P41145 1/20 0.44
PDE4D Q08499 1/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42

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
Rocepafant SCHEMBL29384155 1.00 PTAFR (0.52) PTAFRTBXAS1OPRK1PDE4DHPGD
SCHEMBL9079980 0.92 PTAFR (0.52) PTAFRTBXAS1OPRK1PDE4DCYP3A4
Setipafant SCHEMBL2110462 0.91 PTAFR (0.55) PTAFRTBXAS1OPRK1PDE4DCYP3A4
Setipafant SCHEMBL29439897 0.91 PTAFR (0.55) PTAFRTBXAS1OPRK1PDE4DCYP3A4
SCHEMBL9079664 0.90 PTAFR (0.52) PTAFRTBXAS1OPRK1PDE4DCYP3A4
SCHEMBL9079821 0.90 PTAFR (0.51) PTAFRTBXAS1OPRK1PDE4DCYP3A4
SCHEMBL9080699 0.89 PTAFR (0.50) PTAFRTBXAS1OPRK1PDE4DCYP3A4
SCHEMBL9080175 0.86 PTAFR (0.51) PTAFRTBXAS1OPRK1PDE4DCYP3A4
SCHEMBL9080734 0.86 PTAFR (0.55) PTAFRTBXAS1OPRK1PDE4DCYP3A4
SCHEMBL9228304 0.86 PTAFR (0.55) PTAFRTBXAS1OPRK1PDE4DCYP3A4

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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9016221-B2 Surface topographies for non-toxic bioadhesion control UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2015-04-28 US claimed
US-20100226943-A1 SURFACE TOPOGRAPHIES FOR NON-TOXIC BIOADHESION CONTROL UNIVERSITY OF FLORIDA (US) 2010-09-09 US claimed
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-12-25 US claimed
CN-101330905-A Freeze-drying process and products obtained thereby SCIDOSE LLC (US) 2008-12-24 CN claimed
EP-1954244-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY Scidose, Llc (US) 2008-08-13 EP claimed
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-06-19 US claimed
WO-2007061529-A1 LYOPHILIZATION PROCESS AND PRODUCTS OBTAINED THEREBY SCIDOSE LLC. (US) 2007-05-31 WO claimed
US-20070116729-A1 Lyophilization process and products obtained thereby SCIDOSE LLC 2007-05-24 US claimed
US-20030229078-A1 Synthesis and use of thienotriazolodiazepines NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-11 US claimed
EP-1336602-A1 Nitrate prodrugs able to release nitric oxide in a controlled and selective way and their use for prevention and treatment of inflammatory, ischemic and proliferative diseases Scaramuzzino, Giovanni (IT) 2003-08-20 EP claimed
US-20030078517-A1 In vivo delivery methods and compositions RHEOLOGICS, INC. 2003-04-24 US claimed
WO-2002079778-A2 IN VIVO DELIVERY METHODS AND COMPOSITIONS RHEOLOGICS, INC. (US) 2002-10-10 WO claimed
WO-2002043806-A2 IN VIVO DELIVERY METHODS AND COMPOSITIONS RHEOLOGICS, INC (US) 2002-06-06 WO claimed
US-20020061835-A1 Administering a drug to a human which is pharmaceutically effective to regulate at least one of the blood parameters used to adjust distribution of the drug through the bloodstream RHEOLOGICS, INC. 2002-05-23 US claimed
US-20020032149-A1 Monitoring blood flow parameter of bloodstream, administering substance to organism such that an amount of substance enters bloodstream; distributing portion of amount ofsubstance target within organism RHEOLOGICS, INC. 2002-03-14 US claimed
US-20010044584-A1 In vivo delivery methods and compositions RHEOLOGICS, INC. 2001-11-22 US claimed
WO-2001083440-A2 SYNTHESIS AND USE OF THIENOTRIAZOLODIAZEPINES BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2001-11-08 WO claimed
US-20220047505-A1 Controlled Absorption Water-Soluble Pharmaceutically Active Organic Compound Formulation for Once-Daily Administration STI PHARMA, LLC (US) 2022-02-17 US disclosed
WO-1996007397-A2 DELIVERY OF SOLID DRUG COMPOSITIONS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A. (US) 1996-03-14 WO disclosed
US-5492906-A ANTIASTHMATICS, ANTIALLERGENS, GASTROINTESTINAL PROTECTORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1996-02-20 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 (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-20030229078-A1 Synthesis and use of thienotriazolodiazepines TBXAS1, TBXA2R, P2RY10 PTAFR 5/4885TBXAS1 1/4885OPRK1 1353/4885
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E PTAFR 3115/4885TBXAS1 1371/4885OPRK1 2500/4885
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E PTAFR 3115/4885TBXAS1 1371/4885OPRK1 2500/4885

“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.