SCHEMBL3730156

SCHEMBL3730156

O=C(O)CC1(CC(=O)O)CCCCNNNNC1(CC(=O)O)CC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
CACNA2D1 P54289 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2094040 0.98 USP2 (0.40) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL16447201 0.98 USP2 (0.40) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL2284853 0.98 USP2 (0.40) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL1287846 0.97 USP2 (0.39) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL30361807 0.90 USP2 (0.37) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL28609548 0.84 USP2 (0.31) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL29198910 0.82
SCHEMBL5497063 0.77 USP2 (0.44) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL6158201 0.71 CYP2C19 (0.54) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL29973085 0.70 CYP2C19 (0.42) USP2ALDH1A1LMNACYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871180-B2 Organic-inorganic hybrid particles containing contrast agent JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2014-10-28 US claimed
US-20100278737-A1 ORGANIC-INORGANIC HYBRID PARTICLES CONTAINING CONTRAST AGENT JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-11-04 US claimed
US-7045592-B2 Processes for coupling amino acids using bis-(trichloromethyl) carbonate DEVELOGEN ISRAEL LTD. (IL) 2006-05-16 US disclosed
EP-1097164-A4 PROCESSES FOR COUPLING AMINO ACIDS USING BIS-(TRICHLOROMETHYL) CARBONATE PEPTOR LTD (IL) 2005-05-25 EP disclosed
US-20030195331-A1 Processes for coupling amino acids using bis-(trichloromethyl) carbonate PEPTOR LTD. (IL) 2003-10-16 US disclosed
US-6512092-B2 Solid phase peptide synthesis; in situ generation of amino acid chloride by deblocking; coupling sterically hindered amino acid residues PEPTOR LTD. (IL) 2003-01-28 US disclosed
US-20010007037-A1 Processes for coupling amino acids using bis-(trichloromethyl) carbonate FALB ELIEZER (IL) 2001-07-05 US disclosed
EP-1097164-A1 PROCESSES FOR COUPLING AMINO ACIDS USING BIS-(TRICHLOROMETHYL) CARBONATE PEPTOR LTD (IL) 2001-05-09 EP disclosed
WO-2000002898-A1 PROCESSES FOR COUPLING AMINO ACIDS USING BIS-(TRICHLOROMETHYL) CARBONATE PEPTOR LTD. (IL) 2000-01-20 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-20010007037-A1 Processes for coupling amino acids using bis-(trichloromethyl) carbonate PTMS, BCAT1, DAO USP2 1913/4885ALDH1A1 4814/4885LMNA 3658/4885
US-20100278737-A1 ORGANIC-INORGANIC HYBRID PARTICLES CONTAINING CONTRAST AGENT CA2, CA3, CA12 USP2 2507/4885ALDH1A1 4796/4885LMNA 3721/4885
US-20030195331-A1 Processes for coupling amino acids using bis-(trichloromethyl) carbonate PTMS, BCAT1, DAO USP2 1913/4885ALDH1A1 4814/4885LMNA 3658/4885

“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.