SCHEMBL2780149

SCHEMBL2780149

CCCCCC(CC#N)(CCCCC)O[C]=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
SMPD1 P17405 1/20 0.30

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
SCHEMBL2780150 0.76 FDPS (0.32) TSHRSMPD1
SCHEMBL17374685 0.70 FDPS (0.34) SMPD1
SCHEMBL93262 0.70 FDPS (0.34) SMPD1
SCHEMBL8486541 0.69 ACE2 (0.41) SMPD1
SCHEMBL695769 0.69 TSHR (0.42) TSHRSMPD1
SCHEMBL2110487 0.68 GGPS1 (0.38) SMPD1
SCHEMBL93145 0.68 GGPS1 (0.38) SMPD1
SCHEMBL2111010 0.68 GGPS1 (0.38) SMPD1
SCHEMBL2110792 0.68 GGPS1 (0.38) SMPD1
SCHEMBL2107758 0.68 GGPS1 (0.38) SMPD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3177297-B1 COMPOSITIONS RELATING TO VITAMIN D SIEMENS HEALTHCARE DIAGNOSTICS INC (US) 2021-04-07 EP disclosed
EP-3161005-B1 BINDING PARTNERS SPECIFIC FOR VITAMIN D EPIMERS IN VITAMIN D ASSAYS SIEMENS HEALTHCARE DIAGNOSTICS INC (US) 2020-11-25 EP disclosed
US-10399938-B2 Compositions relating to vitamin D SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2019-09-03 US disclosed
EP-3161006-B1 ASSAYS FOR VITAMIN D EPIMERS SIEMENS HEALTHCARE DIAGNOSTICS INC (US) 2019-03-13 EP disclosed
US-20190016677-A1 COMPOSITIONS RELATING TO VITAMIN D SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2019-01-17 US disclosed
US-10106498-B2 Compositions relating to vitamin D SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2018-10-23 US disclosed
US-9815907-B2 Binding partners specific for vitamin D epimers SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2017-11-14 US disclosed
US-9804176-B2 Assays for vitamin D epimers SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2017-10-31 US disclosed
US-9777069-B2 Compositions and methods for detection of methadone metabolite SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2017-10-03 US disclosed
US-9746484-B2 Binding partners specific for vitamin D epimers in vitamin D assays SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2017-08-29 US disclosed
WO-2005058864-A1 ASSAY FOR ENTACTOGENS DADE BEHRING INC. (US) 2005-06-30 WO disclosed
US-20050130225-A1 Ecstasy haptens and immunogens SIEMENS HEALTHCARE DIAGNOSTICS INC. 2005-06-16 US disclosed
US-20050130243-A1 Assay for entactogens SIEMENS HEALTHCARE DIAGNOSTICS INC. 2005-06-16 US disclosed
US-20050130244-A1 for detection of 3,4-methylenedioxyamphetamine (MDA), 3,4-methylenedioxy-methamphetamine (MDMA) anibody production; drug screening; haptens; immunogens SIEMENS HEALTHCARE DIAGNOSTICS INC. 2005-06-16 US disclosed
WO-2004032845-A2 R-NSAID ESTERS AND THEIR USE ENCORE PHARMACEUTICALS, INC. (US) 2004-04-22 WO disclosed
US-20040067914-A1 R-NSAID esters and their use ENCORE PHARMACEUTICALS, INC. 2004-04-08 US disclosed
US-6582700-B1 A linear core chain having two or more side chains pending directly from different points on the linear core chain. Each of the side chains comprises an epitopic site of an antigen or a peptide. The synthetic constructs are monomeric units that MEDICAL UNIVERSITY OF SOUTH CAROLINA 2003-06-24 US disclosed
EP-1032422-A4 LINEAR ANTIGEN SUPPORTING UNITS UNIV SOUTH CAROLINA (US) 2003-02-05 EP disclosed
EP-1032422-A1 LINEAR ANTIGEN SUPPORTING UNITS MEDICAL UNIVERSITY OF SOUTH CAROLINA (US) 2000-09-06 EP disclosed
WO-1999025381-A1 LINEAR ANTIGEN SUPPORTING UNITS MEDICAL UNIVERSITY OF SOUTH CAROLINA (US) 1999-05-27 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 (5 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-20040067914-A1 R-NSAID esters and their use PTGS1, PTGES, NAPEPLD TSHR 4232/4885SMPD1 2486/4885
US-10399938-B2 Compositions relating to vitamin D CYP24A1, CYP2R1, VDR TSHR 649/4885SMPD1 998/4885
US-10106498-B2 Compositions relating to vitamin D VDR, CYP24A1, CYP2R1 TSHR 339/4885SMPD1 496/4885
US-20050130243-A1 Assay for entactogens HTR3C, COMT, PNMT TSHR 2695/4885SMPD1 1270/4885
US-20190016677-A1 COMPOSITIONS RELATING TO VITAMIN D CYP24A1, VDR, CYP2R1 TSHR 807/4885SMPD1 1030/4885

“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.