SCHEMBL186911

SCHEMBL186911

CCOC(=O)c1ccc(F)cc1OCOC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
FFAR4 Q5NUL3 1/20 0.46
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
JMJD6 Q6NYC1 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL1546433 0.88 TSHR (0.54) TSHRFFAR4CA12CA1CA2
SCHEMBL187037 0.87 FFAR4 (0.59) FFAR4CA12CA1CA2CA7
SCHEMBL2532235 0.85 TSHR (0.54) TSHRCA12CA1CA2CA7
SCHEMBL1959684 0.84 SCN8A (0.40) TSHRFFAR4
SCHEMBL12417943 0.82 TSHR (0.62) TSHRTDP1KDM4ELMNAHSD17B10
SCHEMBL4200539 0.82 MAOB (0.48) TSHRFFAR4POLBSMN1; SMN2KDM4E
SCHEMBL1960348 0.81 TSHR (0.50) TSHRFFAR4CA12CA1CA2
SCHEMBL5845929 0.80 EGFR (0.56) TSHRTDP1SMN1; SMN2KDM4ELMNA
SCHEMBL6693909 0.79 TSHR (0.51) TSHRCA12CA1CA2CA7
SCHEMBL25794823 0.79 TDP1 (0.62) TSHRFFAR4TDP1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9643969-B2 (aza)indolizine derivative and pharmaceutical use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2017-05-09 US disclosed
CN-104592224-B (azepine) Indoli zine derivatives and medicinal usage thereof 橘生药品工业株式会社 2016-08-03 CN disclosed
CN-103221412-B (aza) indolizine derivatives and their pharmaceutical use Kissei Pharmaceutical Co.,Ltd. (JP) 2015-08-19 CN disclosed
EP-2623505-B1 (AZA)INDOLIZINE DERIVATIVES AS XANTHINE OXIDASE INHIBITORS KISSEI PHARMACEUTICAL (JP) 2015-07-29 EP disclosed
CN-104592224-A (AZA)INDOLIZINE DERIVATIVE AND PHARMACEUTICAL USE THEREOF KISSEI PHARMACEUTICAL 2015-05-06 CN disclosed
US-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 US disclosed
US-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 US disclosed
US-9023882-B2 5-membered nitrogen containing heterocyclic derivatives and pharmaceutical compositions comprising the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-05-05 US disclosed
US-8993616-B2 (aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-03-31 US disclosed
US-8993616-B2 (aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-03-31 US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 US disclosed
US-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-09-09 US disclosed
CN-101679251-A (Aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL 2010-03-24 CN disclosed
CN-101679244-A 5-membered heterocyclic derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL 2010-03-24 CN disclosed
US-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
US-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
US-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
EP-2133331-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2009-12-16 EP disclosed
EP-2133332-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2009-12-16 EP 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-20100227864-A1 5-MEMBERED HETEROCYCLIC DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, CBR1 TSHR 2691/4885FFAR4 2672/4885CA12 489/4885
US-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 TSHR 2125/4885FFAR4 2711/4885CA12 261/4885

“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.