SCHEMBL6130103

SCHEMBL6130103

CCC(CC)(C(=O)O)C(=O)ON

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
THRB P10828 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL16569145 0.92 S1PR1 (0.32) MEN1ALDH1A1CYP1A2THRBKMT2A
Glycine SCHEMBL16569115 0.92 GLRA1 (0.40) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL6130102 0.87 ALOX15 (0.32) MEN1KMT2A
SCHEMBL25302909 0.81
SCHEMBL221073 0.80 PTPN1 (0.40) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL10831561 0.78 MEN1 (0.31) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL456197 0.76 MEN1 (0.48) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL1500317 0.76 MEN1 (0.30) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL2102896 0.76 MEN1 (0.30) MEN1ALDH1A1CYP1A2THRBKMT2A
SCHEMBL2958109 0.76 PTPN1 (0.32) MEN1ALDH1A1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108752253-B Multi-nitrogen heterocyclic non-natural chiral amino acid and synthesis method thereof 深圳市茵诺圣生物科技有限公司 2020-11-24 CN claimed
CN-108752253-B Multi-nitrogen heterocyclic non-natural chiral amino acid and synthesis method thereof 深圳市茵诺圣生物科技有限公司 2020-11-24 CN disclosed
EP-2797900-B1 COMPLEX-FORMING COMPOUNDS STRATOXER S KFT (HU) 2016-09-28 EP disclosed
US-20160220689-A1 MACROMOLECULES OF DENDRIMER-PLATINUM CONJUGATES STARPHARMA PTY LTD. (AU) 2016-08-04 US disclosed
US-9243031-B2 Complex-forming compounds STRATOXER(S) KFT. (HU) 2016-01-26 US disclosed
WO-2015035446-A1 MACROMOLECULES OF DENDRIMER-PLATINUM CONJUGATES STARPHARMA PTY LTD (AU) 2015-03-19 WO disclosed
US-20140342997-A1 COMPLEX-FORMING COMPOUNDS STRATOXER(S) KFT. (HU) 2014-11-20 US disclosed
EP-2797900-A1 COMPLEX-FORMING COMPOUNDS Stratoxer(S) Kft. (HU) 2014-11-05 EP disclosed
WO-2013098572-A1 COMPLEX-FORMING COMPOUNDS STRATOXER(S) KFT. (HU) 2013-07-04 WO disclosed
EP-1315735-A4 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS MERCK & CO INC (US) 2005-04-06 EP disclosed
EP-1315735-A1 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS Merck & Co., Inc. (US) 2003-06-04 EP disclosed
US-6437165-B1 USEFUL FOR TREATING IMMUNE MEDIATED DISEASES AND CONDITIONS, SUCH AS BONE MARROW, ORGAN AND TISSUE TRANSPLANT REJECTION. MERCK & CO., INC. 2002-08-20 US disclosed
US-20020091105-A1 Phosphate derivatives as immunoregulatory agents MERCK & CO., INC. 2002-07-11 US disclosed
WO-2002018395-A1 PHOSPHATE DERIVATIVES AS IMMUNOREGULATORY AGENTS MERCK & CO., INC. (US) 2002-03-07 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 (3 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-20020091105-A1 Phosphate derivatives as immunoregulatory agents ALPP, PPIP5K2, ALPI MEN1 2130/4885ALDH1A1 633/4885CYP1A2 1658/4885
US-20160220689-A1 MACROMOLECULES OF DENDRIMER-PLATINUM CONJUGATES CD44, FOLR1, FOLH1 MEN1 1146/4885ALDH1A1 610/4885CYP1A2 2713/4885
US-20140342997-A1 COMPLEX-FORMING COMPOUNDS F2, CYP2F1, CYP4F2 MEN1 95/4885ALDH1A1 1706/4885CYP1A2 44/4885

“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.