SCHEMBL846125

SCHEMBL846125

O=C(NC(C(=O)O)P(=O)(O)O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 2/20 0.54
▸ ELANE P08246 2/20 0.53
▸ ACE2 Q9BYF1 1/20 0.52
▸ TACR1 P25103 1/20 0.51
▸ KYNU Q16719 1/20 0.51
▸ KLK1 P06870 1/20 0.51
▸ ECE1 P42892 4/20 0.51
▸ MME P08473 3/20 0.51
▸ PRTN3 P24158 1/20 0.50
▸ CTSL P07711 1/20 0.50
▸ CTSB P07858 1/20 0.50
▸ CTSS P25774 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ ATM Q13315 1/20 0.50

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
Trimethylammonium SCHEMBL28037498 0.94 ELANE (0.52) CTRB1ELANEACE2KYNUECE1
SCHEMBL1068881 0.90 KYNU (0.60) CTRB1ELANEACE2TACR1KYNU
SCHEMBL535707 0.84 KYNU (0.57) CTRB1ELANEACE2KYNUKLK1
SCHEMBL13435790 0.84 KYNU (0.57) CTRB1ELANEACE2KYNUKLK1
SCHEMBL12903901 0.84 KYNU (0.60) CTRB1ELANEACE2TACR1KYNU
SCHEMBL7432286 0.84 KYNU (0.60) CTRB1ACE2TACR1KYNUECE1
SCHEMBL1110994 0.83 KYNU (0.56) CTRB1ELANEACE2KYNUKLK1
SCHEMBL15549899 0.82 ELANE (0.54) CTRB1ELANEACE2KYNUKLK1
SCHEMBL4163321 0.82 ELANE (0.60) CTRB1ELANEACE2KYNUECE1
SCHEMBL11567174 0.82 ELANE (0.60) CTRB1ELANEACE2KYNUECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220362386-A1 LIQUID COMPOSITIONS COMPRISING A LEVODOPA AMINO ACID CONJUGATE AND USES THEREOF NEURODERM LTD (IL) 2022-11-17 — — US disclosed
WO-2022191338-A1 LEVODOPA-PRODRUGS AND CARBIDOPA-PRODRUGS FOR USE IN THE TREATMENT OF PARKINSON'S DISEASE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2022-09-15 — — WO disclosed
EP-4025200-A1 LIQUID COMPOSITIONS COMPRISING A LEVODOPA AMINO ACID CONJUGATE AND USES THEREOF Neuroderm Ltd (IL) 2022-07-13 — — EP disclosed
CN-114727973-A Liquid compositions comprising L-dopa amino acid conjugates and uses thereof 纽罗德姆有限公司 2022-07-08 — — CN disclosed
US-20210145824-A1 MODULATORS OF CELLULAR ADHESION NOVARTIS PHARMACEUTICALS CORPORATION (US) 2021-05-20 — — US disclosed
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2019-05-09 — — US disclosed
US-10124000-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2018-11-13 — — US disclosed
CN-105073755-B The tetracyclic compound of heterocyclic substituted and its application method for treating viral disease 默沙东公司 2017-08-18 — — CN disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 — — US disclosed
US-9248126-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2016-02-02 — — US disclosed
US-20050267098-A1 Modulators of cellular adhesion JPMORGAN CHASE BANK, N.A., AS SUCCESSOR AGENT 2005-12-01 — — US disclosed
EP-1590340-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2005-11-02 — — EP disclosed
EP-1581496-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2005-10-05 — — EP disclosed
EP-1554250-A1 NOVEL LACTAMS AND USES THEREOF AstraZeneca AB (SE) 2005-07-20 — — EP disclosed
WO-2005044817-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2005-05-19 — — WO disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 — — WO disclosed
WO-2004050613-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2004-06-17 — — WO disclosed
WO-2004031154-A1 NOVEL LACTAMS AND USES THEREOF ASTRAZENECA AB (SE) 2004-04-15 — — WO disclosed
EP-1305293-A1 HEXAHYDRO-7-IMINO-1H-AZEPIN-2-YL-HEXANOIC ACID DERIVATIVES AS INHIBITORS OF INDUCIBLE NITRIC OXIDE SYNTHASE Pharmacia Corporation (US) 2003-05-02 — — EP disclosed
WO-2002010139-A1 HEXAHYDRO-7-1H-AZEPIN-2-YL-HAXANOIC ACID DERIVATIVES AS INHIBITORS OF INDUCIBLE NITRIC OXIDE SYNTHASE PHARMACIA CORPORATION (US) 2002-02-07 — — 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 (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-20210145824-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 CTRB1 2060/4885ELANE 202/4885ACE2 4146/4885
US-20220362386-A1 LIQUID COMPOSITIONS COMPRISING A LEVODOPA AMINO ACID CONJUGATE AND USES THEREOF DAO, DDC, AADAT CTRB1 1721/4885ELANE 1080/4885ACE2 2073/4885
US-10124000-B2 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 CTRB1 2060/4885ELANE 202/4885ACE2 4146/4885
US-20050267098-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 CTRB1 2060/4885ELANE 202/4885ACE2 4146/4885
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 CTRB1 2060/4885ELANE 202/4885ACE2 4146/4885
US-20190134022-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 CTRB1 2060/4885ELANE 202/4885ACE2 4146/4885

“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.

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