Oxalic Acid

Oxalic Acid

SCHEMBL18249573

CCN1CC(C(F)c2cc(F)cc(F)c2F)C1.O=C(O)C(=O)O

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 known ✓ P35372 1/20 0.32
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
RIPK1 Q13546 3/20 0.36
TRPM8 Q7Z2W7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MC4R P32245 5/20 0.33
KDM4E B2RXH2 1/20 0.32
MC5R P33032 1/20 0.31
GPR6 P46095 2/20 0.30
DPP4 P27487 1/20 0.30
FAP Q12884 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
DPP7 Q9UHL4 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
Oxalic Acid SCHEMBL28496501 1.00 CES2 (0.37) CES2CES1RIPK1TRPM8L3MBTL1
SCHEMBL18249617 0.92 CES2 (0.33) CES2CES1
Oxalic Acid SCHEMBL18249628 0.90 CES2 (0.35) CES2CES1RIPK1TRPM8ALDH1A1
Oxalic Acid SCHEMBL28498459 0.90 CES2 (0.35) CES2CES1RIPK1TRPM8ALDH1A1
Oxalic Acid SCHEMBL18249600 0.83 KDM4E (0.33) RIPK1L3MBTL1ALDH1A1MC4RKDM4E
Oxalic Acid SCHEMBL28486018 0.83 KDM4E (0.33) RIPK1L3MBTL1ALDH1A1MC4RKDM4E
Oxalic Acid SCHEMBL28501234 0.83 CCR5 (0.34) CES2CES1TRPM8ALDH1A1KDM4E
Oxalic Acid SCHEMBL20164088 0.83 CCR5 (0.34) CES2CES1TRPM8ALDH1A1KDM4E
Oxalic Acid SCHEMBL18249652 0.81 CCR5 (0.36) CES2CES1ALDH1A1OPRM1DPP4
SCHEMBL18249582 0.81 SLC6A4 (0.32) CES2CES1MC4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107646031-B Azetidine derivatives as modulators of cortical catecholaminergic neurotransmission 综合研究实验室瑞典股份公司 2020-11-17 CN disclosed
EP-3297987-B1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LABORATORIES SWEDEN AB (SE) 2019-05-15 EP disclosed
US-10287247-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2019-05-14 US disclosed
US-20190031606-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2019-01-31 US disclosed
US-10087142-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES (SE) 2018-10-02 US disclosed
US-20180141903-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2018-05-24 US disclosed
EP-3297987-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION Integrative Research Laboratories Sweden AB (SE) 2018-03-28 EP disclosed
WO-2016185032-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2016-11-24 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 (4 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-20180141903-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION SLC18A2, SLC18A1, SLC18A3 OPRM1 158/4885CES2 233/4885CES1 2329/4885
US-10287247-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission SLC18A2, SLC6A2, SLC18A3 OPRM1 205/4885CES2 166/4885CES1 2533/4885
US-10087142-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission SLC18A2, SLC6A2, SLC18A1 OPRM1 193/4885CES2 161/4885CES1 2089/4885
US-20190031606-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION SLC18A2, SLC6A2, SLC18A3 OPRM1 207/4885CES2 254/4885CES1 2957/4885

“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.