SCHEMBL2061580

SCHEMBL2061580

OC(OC(F)(F)F)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
MAPK1 P28482 1/20 0.38
IDO1 P14902 3/20 0.38
TDO2 P48775 3/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
HIF1A Q16665 1/20 0.35
RIPK1 Q13546 1/20 0.35
ACP3 P15309 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL28313752 0.77 RIPK1 (0.44) LMNAMAPK1KDM4EL3MBTL1ADRA2A
SCHEMBL10654262 0.76 IDO1 (0.48) LMNAIDO1TDO2TSHRADRA2A
SCHEMBL518806 0.73 IDO1 (0.38) IDO1TDO2TSHR
SCHEMBL5196720 0.73 IDO1 (0.38) LMNAMAPK1IDO1TDO2TSHR
SCHEMBL2840417 0.73 IDO1 (0.38) LMNAMAPK1IDO1TDO2ACP3
SCHEMBL7636381 0.73 TSHR (0.44) IDO1TDO2TSHRACP3
SCHEMBL7851156 0.73 TACR1 (0.39) LMNAIDO1TDO2KDM4EADRA2A
SCHEMBL1307241 0.73 DPP4 (0.44) IDO1TDO2
SCHEMBL16618692 0.73 IDO1 (0.38) IDO1TDO2TSHRACP3
SCHEMBL17724521 0.72 CYP2D6 (0.45) LMNAMAPK1ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118750465-A Preparation method and application of fluorine-containing lipid nanoparticle 中国科学院精密测量科学与技术创新研究院 2024-10-11 CN claimed
CN-105692978-B A kind of equipment and its processing method of coagulation electrolysis composite algorithm processing high concentrated organic wastewater 徐州腾睿智能装备有限公司 2018-06-15 CN claimed
EP-2731436-B1 2-(PYRROLO[2,3-B]PYRIDINE-5-YL)-2-(T-BUTOXY)-ACETIC ACID DERIVATIVES AS HIV REPLICATION INHIBITORS FOR THE TREATMENT OF AIDS VIIV HEALTHCARE UK LTD (GB) 2017-03-08 EP claimed
CN-105692978-A Equipment and method for treating high-concentration organic wastewater by aid of coagulation and electrolysis combined processes 徐州工程学院 2016-06-22 CN claimed
US-9163023-B2 Compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-10-20 US claimed
US-20150191469-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-07-09 US claimed
EP-2877468-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV Healthcare UK Limited (GB) 2015-06-03 EP claimed
US-9029391-B2 Isoquinoline compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-05-12 US claimed
EP-2731436-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV VIIV Healthcare UK Limited (GB) 2014-05-21 EP claimed
WO-2014009794-A1 COMPOUNDS AND METHODS FOR TREATING HIV VIIV HEALTHCARE UK LIMITED (GB) 2014-01-16 WO claimed
US-8609653-B2 Azaindole compounds and methods for treating HIV GLAXOSMITHKLINE LLC (US) 2013-12-17 US claimed
US-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2013-10-31 US claimed
WO-2013012649-A1 AZAINDOLE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2013-01-24 WO claimed
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV GLAXOSMITHKLINE LLC (US) 2013-01-17 US claimed
WO-2012102985-A1 ISOQUINOLINE COMPOUNDS AND METHODS FOR TREATING HIV GLAXOSMITHKLINE LLC (US) 2012-08-02 WO claimed
US-5700831-A INSECTICIDE, NEMATOCIDES, MITICIDES UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-12-23 US claimed
WO-1997033862-A1 PESTICIDAL HYDRAZIDE DERIVATIVES UNIROYAL CHEMICAL COMPANY, INC. (US) 1997-09-18 WO claimed
CN-118750465-B Preparation method and application of fluorine-containing lipid nanoparticle 中国科学院精密测量科学与技术创新研究院 2025-02-07 CN disclosed
WO-1997001562-A1 NITROIMIDAZOLE ANTIBACTERIAL COMPOUNDS AND METHODS OF USE THEREOF PATHOGENESIS CORPORATION (US) 1997-01-16 WO disclosed
US-4118561-A ANTIBACTERIAL, SYNERGISTIC, ANTI-CANCER ACTIVITY, ANTI-FOLIC ACID ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 1978-10-03 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 (3 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-20150191469-A1 COMPOUNDS AND METHODS FOR TREATING HIV CCR5, CD4, HAVCR2 LMNA 2082/4885MAPK1 4332/4885IDO1 2637/4885
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV AZI2, TPMT, INMT LMNA 3924/4885MAPK1 4211/4885IDO1 56/4885
US-20130289027-A1 Isoquinoline Compounds And Methods For Treating HIV MAVS, CCR5, NFATC1 LMNA 2017/4885MAPK1 4072/4885IDO1 301/4885

“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.