SCHEMBL8087359

SCHEMBL8087359

CNC(=O)Oc1cc(C[C@H](N)C(=O)OC)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ SLC7A5 Q01650 3/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ LCK P06239 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ FOS P01100 1/20 0.43
▸ TTR P02766 1/20 0.43
▸ JUN P05412 1/20 0.43
▸ NR3C1 P04150 1/20 0.43
▸ HSD17B1 P14061 1/20 0.43
▸ HSD17B2 P37059 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ EGFR P00533 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ RECQL P46063 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
Hydrochloric Acid SCHEMBL3645765 0.99 ALDH1A1 (0.51) ALDH1A1SLC7A5ALOX15LCKTDP1
Hydrochloric Acid SCHEMBL3645760 0.99 ALDH1A1 (0.51) ALDH1A1SLC7A5ALOX15LCKTDP1
SCHEMBL8096430 0.90 ALDH1A1 (0.52) ALDH1A1SLC7A5ALOX15LCKTDP1
Hydrochloric Acid SCHEMBL3641166 0.89 ALDH1A1 (0.54) ALDH1A1SLC7A5ALOX15LCKTDP1
SCHEMBL8095890 0.88 ALDH1A1 (0.47) ALDH1A1SLC7A5ALOX15LCKTDP1
Hydrochloric Acid SCHEMBL11967662 0.86 ALDH1A1 (0.49) ALDH1A1SLC7A5ALOX15LCKTDP1
Hydrochloric Acid SCHEMBL3646765 0.86 ALDH1A1 (0.49) ALDH1A1SLC7A5ALOX15LCKTDP1
SCHEMBL6384400 0.85 ALDH1A1 (0.61) ALDH1A1SLC7A5ALOX15LCKTDP1
Hydrochloric Acid SCHEMBL3645540 0.85 ALDH1A1 (0.53) ALDH1A1ALOX15KDM4EPTGS1TSHR
SCHEMBL3801519 0.85 LCK (0.53) SLC7A5ALOX15LCKTDP1KDM4E

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 6 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-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
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 ALDH1A1 3068/4885SLC7A5 250/4885ALOX15 3822/4885

“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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