SCHEMBL1660118

SCHEMBL1660118

CC(c1cccc(O)c1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.52
ADRA1A P35348 2/20 0.52
MIF P14174 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2B P41595 1/20 0.52
HIF1A Q16665 4/20 0.44
ADRB2 P07550 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRB3 P13945 1/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
NFKB1 P19838 1/20 0.44
DRD1 P21728 1/20 0.44
HTR7 P34969 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44
RAB9A P51151 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL30331216 1.00 ADRB1 (0.52) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL24682880 0.85 HTR2A (0.42) ADRA1AHTR2AHTR2BADRA2CDRD3
SCHEMBL21291430 0.82 ADRB1 (0.58) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL5011905 0.79 LMNA (0.46) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL16002846 0.79 PTPN5 (0.42) HTR2AHTR2BTSHRLMNAKDM4E
SCHEMBL7122627 0.78 ADRB1 (0.48) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL21739802 0.78 HDAC4 (0.42) HTR2AHTR2BACHE
SCHEMBL51528 0.76 ADRB1 (0.61) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL921895 0.76 ADRB1 (0.61) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL11619117 0.76 ADRB1 (0.61) ADRB1ADRA1AMIFHTR2AHTR2B

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-04-27 US disclosed
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-04-27 US disclosed
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-04-27 US disclosed
EP-4116291-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCERS AND INFLAMMATIONS Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-01-11 EP disclosed
EP-4116291-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCERS AND INFLAMMATIONS Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2023-01-11 EP disclosed
CN-113354585-A Synthesis of novel EP4 antagonists and their use in cancer and inflammation 湖北生物医药产业技术研究院有限公司 2021-09-07 CN disclosed
CN-102137851-B Compound as vanilloid receptor antagonist, isomer thereof or pharmaceutically acceptable salt thereof, and pharmaceutical composition comprising same AMOREPACIFIC CORP 2014-08-27 CN disclosed
EP-2307394-B1 SULPHONAMIDES AS VANILLOID RECEPTOR ANTAGONIST AMOREPACIFIC CORP (KR) 2012-09-26 EP disclosed
CN-102137851-A Novel compounds as vanilloid receptor antagonists, isomers thereof or pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the same AMOREPACIFIC CORP 2011-07-27 CN disclosed
US-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2011-06-23 US disclosed
EP-2307394-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME Amorepacific Corporation (KR) 2011-04-13 EP disclosed
WO-2010002209-A2 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AMOREPACIFIC CORPORATION (KR) 2010-01-07 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 (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-20110152318-A1 NOVEL COMPOUNDS, ISOMER THEREOF, OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF AS VANILLOID RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME TRPV1, TRPA1, TRPV2 ADRB1 244/4885ADRA1A 376/4885MIF 1579/4885
US-20230125494-A1 SYNTHESIS OF NOVEL EP4 ANTAGONIST AND USE IN CANCER AND INFLAMMATION PTGER4, PTGER3, PTGER2 ADRB1 109/4885ADRA1A 509/4885MIF 1265/4885

“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.