SCHEMBL4127653

SCHEMBL4127653

COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](N)[C@H](C)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ ERCC1 P07992 1/20 0.47
▸ ERCC4 Q92889 1/20 0.47
▸ MDM4 O15151 1/20 0.45
▸ MDM2 Q00987 1/20 0.45
▸ MME P08473 2/20 0.44
▸ OPRM1 P35372 2/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ ACE P12821 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL4127657 1.00 LCK (0.56) LCKHSD17B10TSHRALDH1A1THRB
Hydrochloric Acid SCHEMBL4116808 0.99 LCK (0.55) LCKHSD17B10TSHRALDH1A1THRB
Hydrochloric Acid SCHEMBL4116801 0.99 LCK (0.55) LCKHSD17B10TSHRALDH1A1THRB
SCHEMBL11859518 0.83 LCK (0.59) LCKHSD17B10TSHRALDH1A1THRB
SCHEMBL11850273 0.83 LCK (0.59) LCKHSD17B10TSHRALDH1A1THRB
SCHEMBL11854079 0.83 LCK (0.59) LCKHSD17B10TSHRALDH1A1THRB
SCHEMBL11849660 0.81 LCK (0.65) LCKHSD17B10TSHRALDH1A1THRB
Hydrochloric Acid SCHEMBL11684930 0.80 LCK (0.64) LCKHSD17B10TSHRALDH1A1THRB
SCHEMBL11854644 0.80 LCK (0.60) LCKHSD17B10TSHRALDH1A1THRB
SCHEMBL15976476 0.78 LCK (0.71) LCKHSD17B10TSHRALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036525-A1 Non-Natural Amino Acid Derivatives POXIMAGEN LTD. (GB) 2009-02-05 — — US disclosed
US-20090036525-A1 Non-Natural Amino Acid Derivatives POXIMAGEN LTD. (GB) 2009-02-05 — — US disclosed
EP-1981839-A1 NON-NATURAL AMINO ACID DERIVATIVES Proximagen Ltd. (GB) 2008-10-22 — — EP disclosed
WO-2007091018-A1 NON-NATURAL AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2007-08-16 — — 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 (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-20090036525-A1 Non-Natural Amino Acid Derivatives CHRNA6, PARK7, CHRNA7 LCK 3375/4885HSD17B10 2004/4885TSHR 294/4885

“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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