SCHEMBL91350

SCHEMBL91350

CC(C)(CCCOc1ccc(C(=N)N)cc1Br)[Si](C)(C)O

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.67
PLAU P00749 1/20 0.67
ST14 Q9Y5Y6 1/20 0.67
PRSS1 P07477 11/20 0.48

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
SCHEMBL13894252 0.85 PRSS1 (0.48) F2PLAUST14PRSS1
Dibrompropamidine SCHEMBL29709297 0.81 F2 (1.00) F2PLAUST14PRSS1
Dibrompropamidine SCHEMBL292947 0.81 F2 (1.00) F2PLAUST14PRSS1
SCHEMBL597315 0.80 F2 (0.90) F2PLAUST14PRSS1
Dibrompropamidine SCHEMBL21083095 0.80 F2 (0.97) F2PLAUST14PRSS1
SCHEMBL14599538 0.80 F2 (0.90) F2PLAUST14PRSS1
SCHEMBL91154 0.80 SMN1; SMN2 (0.48)
SCHEMBL91228 0.80 PKM (0.47) F2PLAUST14
SCHEMBL91351 0.80 PLAU (0.41) F2PLAUST14
SCHEMBL1428334 0.77 F2 (0.78) F2PLAUST14PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181298-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2015-11-10 US disclosed
US-8497242-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2013-07-30 US disclosed
US-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 US disclosed
US-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 US disclosed
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-09-06 US disclosed
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MARSAULT ERIC (CA) 2012-06-28 US disclosed
US-8129561-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2012-03-06 US disclosed
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds IMC EXPLORATION COMPANY 2011-10-06 US disclosed
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-09-24 US disclosed
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-05-28 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 (7 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-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 F2 776/4885PLAU 1032/4885ST14 3813/4885
US-20120165566-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 F2 776/4885PLAU 1032/4885ST14 3813/4885
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds MLNR, CHRM2, CHRM1 F2 776/4885PLAU 1032/4885ST14 3813/4885
US-20120226066-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 F2 776/4885PLAU 1032/4885ST14 3813/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 F2 878/4885PLAU 1223/4885ST14 3721/4885
US-20120226067-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CCKAR F2 745/4885PLAU 1091/4885ST14 3836/4885
US-20120226072-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 F2 776/4885PLAU 1032/4885ST14 3813/4885

“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.