SCHEMBL3640278

SCHEMBL3640278

CNC(=O)Oc1cc(C[C@H](NC(=O)[C@@H](N)Cc2ccc(O)c(O)c2)C(N)=O)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 3/20 0.44
▸ LCK P06239 2/20 0.44
▸ SLC7A5 Q01650 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ EGFR P00533 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ YARS1 P54577 1/20 0.42
▸ GRB2 P62993 2/20 0.40
▸ ALOX12 P18054 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 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
SCHEMBL3733282 0.91 LCK (0.53) ALOX15LCKSLC7A5KDM4EUSP2
SCHEMBL3801519 0.91 LCK (0.53) ALOX15LCKSLC7A5KDM4EUSP2
Hydrochloric Acid SCHEMBL3746967 0.90 LCK (0.52) ALOX15LCKSLC7A5KDM4EUSP2
Hydrochloric Acid SCHEMBL3729333 0.90 LCK (0.52) ALOX15LCKSLC7A5KDM4EUSP2
SCHEMBL8093509 0.84 LCK (0.53) ALOX15LCKSLC7A5KDM4EUSP2
Hydrochloric Acid SCHEMBL3640073 0.84 LCK (0.52) ALOX15LCKSLC7A5KDM4EUSP2
SCHEMBL12083525 0.83 LCK (0.49) ALOX15LCKSLC7A5KDM4EUSP2
SCHEMBL11967652 0.80 SLC7A5 (0.41) ALOX15LCKSLC7A5KDM4EUSP2
SCHEMBL8087359 0.79 ALDH1A1 (0.49) ALOX15LCKSLC7A5KDM4EUSP2
SCHEMBL25183458 0.78 ALOX15 (0.54) ALOX15LCKSLC7A5KDM4EUSP2

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-8258097-B2 Amino acid derivatives PROXIMAGEN LTD. (GB) 2012-09-04 — — US claimed
US-20100190725-A1 AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2010-07-29 — — US claimed
US-8258097-B2 Amino acid derivatives PROXIMAGEN LTD. (GB) 2012-09-04 — — US disclosed
US-8258097-B2 Amino acid derivatives PROXIMAGEN LTD. (GB) 2012-09-04 — — US disclosed
EP-2176217-B1 AMINO ACID DERIVATIVES PROXIMAGEN LTD (GB) 2012-08-22 — — EP disclosed
US-20100190725-A1 AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2010-07-29 — — US disclosed
US-20100190725-A1 AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2010-07-29 — — US disclosed
EP-2176217-A1 AMINO ACID DERIVATIVES Proximagen Ltd. (GB) 2010-04-21 — — EP disclosed
WO-2009007696-A1 AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2009-01-15 — — 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-20100190725-A1 AMINO ACID DERIVATIVES NPR3, NPY4R, GFRA3 ALOX15 3822/4885LCK 3696/4885SLC7A5 250/4885

“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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