SCHEMBL3073609

SCHEMBL3073609

CCOC(=O)[C@H](Cc1ccc(O)cc1)N1C(=O)CCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
PKM P14618 1/20 0.51
PTGS2 P35354 3/20 0.46
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ESR1 P03372 3/20 0.41
ESR2 Q92731 3/20 0.41
BACE1 P56817 1/20 0.41
BCL2L2 Q92843 1/20 0.41
BAD Q92934 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HSD11B1 P28845 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL3155084 0.81 PTGS2 (0.48) PTGS2POLBNPC1RAB9AESR1
SCHEMBL5010177 0.81 ALDH1A1 (0.77) ALDH1A1PKMPOLBMEN1KMT2A
SCHEMBL112098 0.81 ALDH1A1 (0.77) ALDH1A1PKMPOLBMEN1KMT2A
SCHEMBL11688646 0.79 ALDH1A1 (0.52) ALDH1A1PKMPOLBNPC1RAB9A
SCHEMBL6713412 0.77 PTGS2 (0.50) PTGS2POLBNPC1RAB9AESR1
SCHEMBL11338112 0.75 ALDH1A1 (0.62) ALDH1A1PKMPOLBHSD11B1GAA
SCHEMBL9969257 0.75 PTGS2 (0.36) ALDH1A1PKMPTGS2POLBNPC1
SCHEMBL9650037 0.74 ALDH1A1 (0.70) ALDH1A1PKMPOLBNPC1RAB9A
SCHEMBL5800254 0.74 MMP8 (0.55) ALDH1A1PTGS2ESR1ESR2BACE1
SCHEMBL5385979 0.72 ESR1 (0.50) PTGS2ESR1ESR2BACE1CA12

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
EP-1905763-B1 N-ACYLIC AMINOACID DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACOLOGICAL COMPOSITION AND THE USE IN THE FORM OF ANTI-ALLERGIC, ANTI-INFLAMMATORY AND HYPOLIPIDEMIC AGENTS NEBOLSIN VLADIMIR EVGENIEVICH (RU) 2019-05-08 EP disclosed
US-8940780-B2 N-acylic aminoacid derivatives, method for the production thereof, pharmacological composition and the use in the form anti-allergic, anti-inflammatory and hypolipidemic agents OTKRYTOE AKTSIONERNOE OBSCHESTVO OTECHESTVENNYE LEKARSTVA (RU) 2015-01-27 US disclosed
US-8318950-B2 N-acyl amino acid derivatives, a method for the preparation thereof, a pharmaceutical composition and use thereof as anti-allergic, anti-inflammatory and hypolipidemic agents Otkrytoe Aktsionernoe Obschestvo-Otechestvennye Lekarstva (RU) 2012-11-27 US disclosed
US-20100267962-A1 N-ACYLIC AMINOACID DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACOLOGICAL COMPOSITION AND THE USE IN THE FORM ANTI-ALLERGIC, ANTI-INFLAMMATORY AND HYPOLIPIDEMIC AGENTS Nebolsin, Vladimir Evgenievich (RU) 2010-10-21 US disclosed
US-20080319040-A1 N-Acylic Aminoacid Derivatives, Method For The Production Thereof, Pharmacological Composition And The Use In The Form Anti-Allergic, Anti-Inflammatory And Hypolipidemic Agents OTKRYTOE AKTSIONERNOE OBSCHESTVO "OTECHESTVENNYE LEKARSTVA (RU) 2008-12-25 US disclosed
EP-1905763-A1 N-ACYLIC AMINOACID DERIVATIVES. METHOD FOR THE PRODUCTION THEREOF, PHARMACOLOGICAL COMPOSITION AND THE USE IN THE FORM OF ANTI-ALLERGIC, ANTI-INFLAMMATORY AND HYPOLIPIDEMIC AGENTS Nebolsin, Vladimir Evgenievich (RU) 2008-04-02 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 (2 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-20100267962-A1 N-ACYLIC AMINOACID DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, PHARMACOLOGICAL COMPOSITION AND THE USE IN THE FORM ANTI-ALLERGIC, ANTI-INFLAMMATORY AND HYPOLIPIDEMIC AGENTS HRH4, HRH2, AADAT ALDH1A1 4093/4885PKM 4226/4885PTGS2 980/4885
US-20080319040-A1 N-Acylic Aminoacid Derivatives, Method For The Production Thereof, Pharmacological Composition And The Use In The Form Anti-Allergic, Anti-Inflammatory And Hypolipidemic Agents HRH4, HRH2, AADAT ALDH1A1 4093/4885PKM 4226/4885PTGS2 980/4885

“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.