SCHEMBL2162247

SCHEMBL2162247

Cc1ccsc1C(C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.53
ADRA1D P25100 2/20 0.40
CYP2C9 P11712 5/20 0.39
PTGS2 P35354 5/20 0.39
PTGS1 P23219 4/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GSK3B P49841 1/20 0.39
ADRA2C P18825 1/20 0.38
MAOA P21397 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL27691011 0.86 ALOX5 (0.54) ALOX5ADRA1DLMNAGSK3BPOLB
SCHEMBL9577306 0.85 ALOX5 (0.50) ALOX5ADRA1DGSK3BPOLBPKM
SCHEMBL9639925 0.82 ALOX5 (0.51) ALOX5ADRA1DGSK3BPOLBNPC1
SCHEMBL3541270 0.82 ALOX5 (0.50) ALOX5ADRA1DGSK3BPOLBPKM
SCHEMBL7642306 0.80 ALOX5 (0.49) ALOX5ADRA1DLMNAGSK3BCYP1A2
Hydrochloric Acid SCHEMBL10919346 0.79 ALOX5 (0.49) ALOX5ADRA1DLMNAGSK3BCYP2D6
SCHEMBL11902940 0.78 ALOX5 (0.51) ALOX5ADRA1DKDM4EGSK3BCYP1A2
SCHEMBL11263884 0.78 PTGS2 (0.38) ALOX5CYP2C9PTGS2PTGS1LMNA
SCHEMBL3048188 0.78 ALOX5 (0.40) ALOX5CYP2C9PTGS2PTGS1LMNA
SCHEMBL6713787 0.77 PTGS2 (0.37) ALOX5CYP2C9PTGS2PTGS1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240139152-A1 HBV INHIBITOR AND ITS USE XI'AN XINTONG PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2024-05-02 US disclosed
US-11903924-B2 HBV inhibitor and its use XI'AN XINTONG PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2024-02-20 US disclosed
EP-3919474-B1 HBV INHIBITOR AND USE THEREOF XIAN XINTONG PHARMACEUTICAL RES CO LTD (CN) 2023-10-11 EP disclosed
EP-4245372-A2 HBV INHIBITOR AND USE THEREOF Xi'An Xintong Pharmaceutical Research Co., Ltd. (CN) 2023-09-20 EP disclosed
US-20220184035-A1 HBV INHIBITOR AND ITS USE XI'AN XINTONG PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2022-06-16 US disclosed
EP-3919474-A1 HBV INHIBITOR AND USE THEREOF Xi'An Xintong Pharmaceutical Research Co., Ltd. (CN) 2021-12-08 EP disclosed
WO-2021093172-A1 HBV INHIBITOR AND USE THEREOF 西安新通药物研究有限公司 2021-05-20 WO disclosed
US-8791268-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2014-07-29 US disclosed
US-8642775-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them, and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2014-02-04 US disclosed
US-20110184020-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof For Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2011-07-28 US disclosed
US-7629294-B2 Pyrazolopyrimidines BAYER CROPSCIENCE LP (DE) 2009-12-08 US disclosed
US-20080262039-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof For Treating Pain and Other Conditions GRUENENTHAL GMBH (DE) 2008-10-23 US disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20050187224-A1 Pyrazolopyrimidines BAYER CROPSCIENCE AG (DE) 2005-08-25 US disclosed
US-4159986-A ANALGESICS, ANTIINFLAMMATORY AGENTS ROUSSEL UCLAF (FR) 1979-07-03 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 (6 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-11903924-B2 HBV inhibitor and its use HAVCR2, HDGF, ZC3HAV1 ALOX5 4181/4885ADRA1D 4409/4885CYP2C9 902/4885
US-20080262039-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof For Treating Pain and Other Conditions TRPV1, TRPV2, TRPV3 ALOX5 352/4885ADRA1D 341/4885CYP2C9 2152/4885
US-20110184020-A1 Vanilloid Receptor Ligands, Pharmaceutical Compositions Containing Them, Process For Making Them, and Use Thereof For Treating Pain and Other Conditions TRPV1, TRPV2, TRPV3 ALOX5 352/4885ADRA1D 341/4885CYP2C9 2152/4885
US-20240139152-A1 HBV INHIBITOR AND ITS USE HAVCR2, HDGF, ZC3HAV1 ALOX5 4181/4885ADRA1D 4409/4885CYP2C9 902/4885
US-20220184035-A1 HBV INHIBITOR AND ITS USE HAVCR2, HDGF, ZC3HAV1 ALOX5 4181/4885ADRA1D 4409/4885CYP2C9 902/4885
US-20050187224-A1 Pyrazolopyrimidines P2RX5, P2RX4, P2RX1 ALOX5 2632/4885ADRA1D 75/4885CYP2C9 53/4885

“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.