SCHEMBL9955449

SCHEMBL9955449

COC(=O)CCCCCCCCCCCCCCCS(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.56
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
CA12 O43570 4/20 0.45
CA14 Q9ULX7 4/20 0.45
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
KMT2A Q03164 2/20 0.42
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
KAT2B Q92831 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL4006668 1.00 TSHR (0.56) TSHRLMNAALDH1A1CA12CA14
SCHEMBL4968131 0.91 TSHR (0.61) TSHRLMNAALDH1A1CA12CA14
SCHEMBL13762659 0.83 TSHR (0.56) TSHRLMNAALDH1A1CA12CA14
SCHEMBL9165420 0.83 DGKA (0.36) TSHRLMNAALDH1A1MAPT
SCHEMBL13762658 0.83 TSHR (0.56) TSHRLMNAALDH1A1CA12CA14
SCHEMBL10119664 0.83 TSHR (0.56) TSHRLMNAALDH1A1CA12CA14
SCHEMBL1968935 0.82 TSHR (0.57) TSHRLMNAALDH1A1CA12CA14
SCHEMBL3502791 0.82 TSHR (0.82) TSHRLMNAALDH1A1CA12CA14
SCHEMBL1286873 0.82 TSHR (0.82) TSHRLMNAALDH1A1CA12CA14
SCHEMBL118000 0.82 TSHR (0.82) TSHRLMNAALDH1A1CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11572398-B2 GLP-1 derivatives and uses thereof NOVO NORDISK A/S (DK) 2023-02-07 US disclosed
CN-106999602-B GLP-1 derivatives and uses thereof 诺和诺德股份有限公司 2022-02-01 CN disclosed
CN-105722526-B Selective PYY compounds and uses thereof 诺和诺德股份有限公司 2020-12-08 CN disclosed
EP-3033112-B1 GLP-1 DERIVATIVES, AND USES THEREOF NOVO NORDISK AS (DK) 2020-10-07 EP disclosed
EP-3673921-A1 MATERIALS AND METHODS FOR CONJUGATING A WATER SOLUBLE FATTY ACID DERIVATIVE TO A PROTEIN Baxalta GmbH (CH) 2020-07-01 EP disclosed
EP-2654794-B1 MATERIALS AND METHODS FOR CONJUGATING A WATER SOLUBLE FATTY ACID DERIVATIVE TO A PROTEIN Baxalta GmbH (CH) 2020-03-04 EP disclosed
EP-3226906-B1 GLP-1 DERIVATIVES AND USES THEREOF NOVO NORDISK AS (DK) 2019-06-12 EP disclosed
US-10266577-B2 GLP-1 derivatives, and uses thereof NOVO NORDISK A/S (DK) 2019-04-23 US disclosed
EP-3068421-B1 SELECTIVE PYY COMPOUNDS AND USES THEREOF NOVO NORDISK AS (DK) 2019-04-17 EP disclosed
US-10246497-B2 Selective PYY compounds and uses thereof NOVO NORDISK A/S (DK) 2019-04-02 US disclosed
CN-105451776-A GLP-1 derivatives and uses thereof NOVO NORDISK AS 2016-03-30 CN disclosed
US-9085637-B2 Selective PYY compounds and uses thereof NOVO NORDISK A/S (DK) 2015-07-21 US disclosed
US-20150152150-A1 Selective PYY compounds and uses thereof NOVO NORDISK A/S (DK) 2015-06-04 US disclosed
WO-2015071355-A1 SELECTIVE PYY COMPOUNDS AND USES THEREOF NOVO NORDISK A/S (DK) 2015-05-21 WO disclosed
WO-2015022400-A1 GLP-1 DERIVATIVES, AND USES THEREOF NOVO NORDISK A/S (DK) 2015-02-19 WO disclosed
US-8945897-B2 Materials and methods for conjugating a water soluble fatty acid derivative to a protein BAXTER INTERNATIONAL INC. (US) 2015-02-03 US disclosed
EP-2654794-A1 MATERIALS AND METHODS FOR CONJUGATING A WATER SOLUBLE FATTY ACID DERIVATIVE TO A PROTEIN Baxter International Inc (US) 2013-10-30 EP disclosed
CN-103269723-A Materials and methods for conjugating a water soluble fatty acid derivative to a protein BAXTER INT 2013-08-28 CN disclosed
US-20120190096-A1 MATERIALS AND METHODS FOR CONJUGATING A WATER SOLUBLE FATTY ACID DERIVATIVE TO A PROTEIN BAXTER HEALTHCARE S.A. (CH) 2012-07-26 US disclosed
WO-2012087838-A1 MATERIALS AND METHODS FOR CONJUGATING A WATER SOLUBLE FATTY ACID DERIVATIVE TO A PROTEIN BAXTER INTERNATIONAL INC. (US) 2012-06-28 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-10266577-B2 GLP-1 derivatives, and uses thereof GLP1R, IAPP, GCG TSHR 639/4885LMNA 1793/4885ALDH1A1 1949/4885
US-20120190096-A1 MATERIALS AND METHODS FOR CONJUGATING A WATER SOLUBLE FATTY ACID DERIVATIVE TO A PROTEIN FABP1, FABP4, FABP5 TSHR 3304/4885LMNA 2670/4885ALDH1A1 2674/4885
US-20150152150-A1 Selective PYY compounds and uses thereof NPY1R, NPY5R, NPY2R TSHR 417/4885LMNA 4017/4885ALDH1A1 4809/4885
US-11572398-B2 GLP-1 derivatives and uses thereof GLP1R, GIPR, GCG TSHR 642/4885LMNA 537/4885ALDH1A1 2013/4885
US-10246497-B2 Selective PYY compounds and uses thereof NPY1R, NPY5R, NPY2R TSHR 417/4885LMNA 4017/4885ALDH1A1 4809/4885

“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.