SCHEMBL4005302

SCHEMBL4005302

O=C(O)c1ccc(Sc2cc(F)ccc2C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 3/20 0.52
KDM4E B2RXH2 1/20 0.52
CASP6 P55212 1/20 0.50
POLB P06746 4/20 0.48
BCL2L1 Q07817 1/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
PDE7A Q13946 2/20 0.47
TSHR P16473 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GFER P55789 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HCAR3 P49019 2/20 0.44
GAA P10253 1/20 0.44
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43

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
SCHEMBL4637151 0.91 APEX1 (0.54) APEX1ALDH1A1LMNAKDM4ECASP6
SCHEMBL4003687 0.85 MAPT (0.50) APEX1ALDH1A1LMNAKDM4EPOLB
SCHEMBL4001613 0.85 BCL2L1 (0.60) APEX1ALDH1A1LMNAKDM4ECASP6
SCHEMBL18779457 0.83 ALDH1A1 (0.64) APEX1ALDH1A1LMNAKDM4ECASP6
SCHEMBL4003277 0.83 LMNA (0.68) APEX1ALDH1A1LMNAKDM4ECASP6
SCHEMBL1645800 0.82 MAPT (0.60) ALDH1A1LMNAKDM4EPOLBBCL2L1
SCHEMBL17080233 0.81 HPGD (0.53) ALDH1A1LMNAKDM4EPOLBMAPT
SCHEMBL20644299 0.79 ALDH1A1 (0.47) APEX1ALDH1A1LMNAKDM4ECASP6
SCHEMBL4007821 0.79 KDM4E (0.68) ALDH1A1LMNAKDM4EBCL2L1MAPT
SCHEMBL19984746 0.79 ALDH1A1 (0.58) APEX1ALDH1A1LMNAKDM4ECASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2023-02-09 US disclosed
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2023-02-09 US disclosed
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US disclosed
EP-3116316-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research And Technology Corporation (US) 2017-01-18 EP disclosed
WO-2015138895-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-09-17 WO disclosed
WO-2015138895-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-09-17 WO disclosed
WO-2009075691-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2009-06-18 WO disclosed
WO-2008118141-A2 USE OF CANNABINOID MODULATING COMPOUNDS IN COMBINATION WITH OTHER THERAPEUTIC COMPOUNDS FOR ADJUNCTIVE THERAPY ACADIA PHARMACEUTICALS INC. (US) 2008-10-02 WO disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 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-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 APEX1 4340/4885ALDH1A1 4382/4885LMNA 4824/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 APEX1 4340/4885ALDH1A1 4382/4885LMNA 4824/4885
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS APEX1 4211/4885ALDH1A1 4316/4885LMNA 4706/4885
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS APEX1 4211/4885ALDH1A1 4316/4885LMNA 4706/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS APEX1 4211/4885ALDH1A1 4316/4885LMNA 4706/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH APEX1 4658/4885ALDH1A1 888/4885LMNA 3921/4885

“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.