SCHEMBL12058917

SCHEMBL12058917

Cc1ncc(C(F)(F)F)s1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
MLYCD O95822 3/20 0.33
FFAR2 O15552 2/20 0.33
COMT P21964 1/20 0.33
PTGS2 P35354 1/20 0.33
TRPM5 Q9NZQ8 1/20 0.32
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
NOS1 P29475 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
SCHEMBL21209899 0.84 HCAR2 (0.38) HCAR2MLYCD
SCHEMBL26859996 0.83 HCAR2 (0.34) HCAR2MLYCD
SCHEMBL8447951 0.82 HCAR2 (0.36) HCAR2MLYCDPTGS2
SCHEMBL21610747 0.82 HCAR2 (0.36) HCAR2MLYCD
SCHEMBL16996968 0.82 HCAR2 (0.36) HCAR2MLYCD
SCHEMBL26858665 0.79 HCAR2 (0.34) HCAR2MLYCDCOMTPTGS2
SCHEMBL5121295 0.78 HCAR2 (0.40) HCAR2NOS1
SCHEMBL26897014 0.77 MLYCD (0.34) HCAR2MLYCD
SCHEMBL14037127 0.77 MLYCD (0.37) HCAR2MLYCD
SCHEMBL21389734 0.76 HCAR2 (0.39) HCAR2NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024061554-A1 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2024-03-28 WO disclosed
US-20230346951-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS YALE UNIVERSITY 2023-11-02 US disclosed
US-20230346951-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS YALE UNIVERSITY 2023-11-02 US disclosed
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-28 US disclosed
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF NIHON NOHYAKU CO., LTD. (JP) 2023-09-28 US disclosed
EP-4174057-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDE COMPRISING SAID COMPOUND, AND METHOD FOR USING SAID INSECTICIDE Nihon Nohyaku Co., Ltd. (JP) 2023-05-03 EP disclosed
WO-2023020457-A1 PYRIDAZINONE OR PYRIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-02-23 WO disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 WO disclosed
WO-2022079290-A2 CULLIN RING UBIQUITIN LIGASE COMPOUNDS AND USES THEREOF CEMM - FORSCHUNGSZENTRUM FÜR MOLEKULARE MEDIZIN GMBH (AT) 2022-04-21 WO disclosed
WO-2021261563-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDE COMPRISING SAID COMPOUND, AND METHOD FOR USING SAID INSECTICIDE 日本農薬株式会社 2021-12-30 WO disclosed
EP-2370442-B1 3-Aminocyclopentanecarboxamides as chemokine receptor modulators PFIZER (US) 2013-04-24 EP disclosed
US-20110319411-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTIS PHARMACEUTICALS, INC. (US) 2011-12-29 US disclosed
US-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-27 US disclosed
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-10-20 US disclosed
US-8026264-B2 Triazole derivatives as inhibitors of 11-β hydroxysteroid dehydrogenase-1 MERCK SHARP AND DOHME CORP. (US) 2011-09-27 US disclosed
EP-1638947-B1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA HYDROXYSTEROID DEHYDROGENASE-1 MERCK SHARP & DOHME (US) 2010-08-04 EP disclosed
US-20090099192-A1 Substituted 1H-pyrrole-2,5-diones BAYER CROPSCIENCE AG (DE) 2009-04-16 US disclosed
US-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-26 US disclosed
US-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-26 US disclosed
EP-1995243-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 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 (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-20110263564-A1 PYRIDINE, BICYCLIC PYRIDINE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT6 HCAR2 1303/4885MLYCD 341/4885FFAR2 2428/4885
US-20230303522-A1 ARYLTETRAHYDROPYRIDAZINE DERIVATIVE OR SALT THEREOF, INSECTICIDAL AGENT CONTAINING THE COMPOUND, AND METHOD OF USE THEREOF CYP4Z1, DDT, AADAC HCAR2 647/4885MLYCD 934/4885FFAR2 1560/4885
US-20230346951-A1 MOLECULAR DEGRADERS OF EXTRACELLULAR PROTEINS ASGR1, MSR1, LDLR HCAR2 1122/4885MLYCD 4067/4885FFAR2 926/4885
US-20110257174-A1 CHROMENONE ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HCAR2 1376/4885MLYCD 223/4885FFAR2 2228/4885
US-20090099192-A1 Substituted 1H-pyrrole-2,5-diones PYCR1, COX5A, COX5B HCAR2 2619/4885MLYCD 1375/4885FFAR2 2761/4885
US-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF HSD11B1, HSD11B2, HSD17B1 HCAR2 1741/4885MLYCD 464/4885FFAR2 1531/4885
US-20110319411-A1 ISOINDOLINONE AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HCAR2 1566/4885MLYCD 195/4885FFAR2 2464/4885

“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.