Lysine

Lysine

SCHEMBL4188802

CN1CCN(Cc2cn(Cc3c(Cl)cccc3Cl)c3ccc(NC(=O)NCC(=O)O)cc23)CC1.NCCCC[C@H](N)C(=O)O.O=C(Nc1ccc2c(c1)c1c(n2Cc2c(Cl)cccc2Cl)C(c2ccccc2)c2ccccc2C(=O)N1N[C@@H](Cc1ccccc1)C(=O)O)Oc1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA

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

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 14/20 0.38
▸ F2 P00734 2/20 0.38
▸ ITGB1 P05556 1/20 0.30
▸ ITGA4 P13612 1/20 0.30
▸ ITGB7 P26010 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
Aminodiphenylmethane SCHEMBL4551064 0.78 F2R (0.47) F2RF2ITGB1ITGA4ITGB7
Aminodiphenylmethane SCHEMBL4551156 0.73 F2R (0.52) F2RF2
SCHEMBL4316805 0.72 GAA (0.46) —
SCHEMBL12340133 0.71 F2R (0.56) F2RF2
SCHEMBL13968276 0.69 F2R (0.53) F2RF2
SCHEMBL12340158 0.67 F2R (0.65) F2RF2
SCHEMBL3386016 0.67 CACNB4 (0.46) F2RF2
SCHEMBL12340126 0.67 F2R (0.63) F2RF2
SCHEMBL12340155 0.64 F2R (0.67) F2RF2
SCHEMBL12340129 0.64 F2R (0.65) F2RF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012263-A1 Process for Production of (1,3-Disubstituted Indolyl)-Urea Derivatives, Intermediates Therefor, and Process for Production of the Intermediates KOWA COMPANY, LTD. (JP) 2009-01-08 — — US disclosed
EP-1806355-A1 PROCESS FOR PRODUCTION OF (1,3-DISUBSTITUTED INDOLYL)- UREA DERIVATIVES, INTERMEDIATES THEREFOR, AND PROCESS FOR PRODUCTION OF THE INTERMEDIATES Kowa Company Ltd. (JP) 2007-07-11 — — EP 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 (1 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-20090012263-A1 Process for Production of (1,3-Disubstituted Indolyl)-Urea Derivatives, Intermediates Therefor, and Process for Production of the Intermediates WEE1, WASF2, IDO1 F2R 2248/4885F2 475/4885ITGB1 4539/4885

“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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