SCHEMBL12083525

SCHEMBL12083525

CNC(=O)Oc1cc(C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C(=O)OC)ccc1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.49
▸ LNPEP Q9UIQ6 3/20 0.41
▸ ERAP2 Q6P179 2/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ ALOX15 P16050 2/20 0.40
▸ SLC7A5 Q01650 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ EGFR P00533 1/20 0.40
▸ FYN P06241 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ YARS1 P54577 1/20 0.39

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 SCHEMBL3645537 0.94 LCK (0.44) LCKLNPEPERAP2ERAP1OPRK1
Trifluoroacetic Acid SCHEMBL3639104 0.94 LCK (0.44) LCKLNPEPERAP2ERAP1OPRK1
SCHEMBL3801519 0.92 LCK (0.53) LCKLNPEPERAP2ERAP1OPRK1
SCHEMBL3733282 0.92 LCK (0.53) LCKLNPEPERAP2ERAP1OPRK1
SCHEMBL8093509 0.92 LCK (0.53) LCKLNPEPERAP2ERAP1OPRK1
Hydrochloric Acid SCHEMBL3729333 0.91 LCK (0.52) LCKLNPEPERAP2ERAP1OPRK1
Hydrochloric Acid SCHEMBL3746967 0.91 LCK (0.52) LCKLNPEPERAP2ERAP1OPRK1
Hydrochloric Acid SCHEMBL3640073 0.91 LCK (0.52) LCKLNPEPERAP2ERAP1OPRK1
SCHEMBL22290230 0.88 OPRK1 (0.49) LCKLNPEPERAP2ERAP1OPRK1
SCHEMBL1069987 0.88 OPRK1 (0.49) LCKLNPEPERAP2ERAP1OPRK1

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-8258097-B2 Amino acid derivatives PROXIMAGEN LTD. (GB) 2012-09-04 — — US disclosed
US-20100190725-A1 AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2010-07-29 — — US 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-20100190725-A1 AMINO ACID DERIVATIVES NPR3, NPY4R, GFRA3 LCK 3696/4885LNPEP 737/4885ERAP2 2866/4885

“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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