SCHEMBL16588649

SCHEMBL16588649

CC(=O)CC(CC(N)=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ GABBR2 O75899 1/20 0.50
▸ GABBR1 Q9UBS5 1/20 0.50
▸ CYP2C19 P33261 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ ALB P02768 1/20 0.46
▸ PCSK7 Q16549 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ VKORC1 Q9BQB6 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ATM Q13315 1/20 0.45

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
SCHEMBL9105247 0.90 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL13559962 0.90 GABBR2 (0.53) ALDH1A1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL9857550 0.85 GABBR2 (0.63) ALDH1A1SMN1; SMN2GABBR2GABBR1KDM4E
SCHEMBL27814502 0.85 GABBR2 (0.69) ALDH1A1CYP1A2CYP2D6PKMSMN1; SMN2
Acetic Acid SCHEMBL8177844 0.84 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2D6PKMSMN1; SMN2
Acetic Acid SCHEMBL8188055 0.84 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2D6PKMSMN1; SMN2
Acetic Acid SCHEMBL8178315 0.84 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL186231 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL186239 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL186417 0.83 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2D6PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10993931-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2021-05-04 — — US disclosed
US-20190343804-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. 2019-11-14 — — US disclosed
US-10172832-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2019-01-08 — — US disclosed
US-9974772-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2018-05-22 — — US disclosed
US-20170119737-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. 2017-05-04 — — US disclosed
US-9579307-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2017-02-28 — — US disclosed
US-20160235711-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS ALLERGAN, INC. 2016-08-18 — — US disclosed
US-8993780-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators ALLERGAN, INC. (US) 2015-03-31 — — 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 (5 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-20170119737-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR3, FPR2 ALDH1A1 4424/4885CYP1A2 4274/4885CYP2D6 3625/4885
US-20190343804-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR3, FPR2 ALDH1A1 4424/4885CYP1A2 4274/4885CYP2D6 3625/4885
US-10172832-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators FPR1, FPR3, FPR2 ALDH1A1 4424/4885CYP1A2 4274/4885CYP2D6 3625/4885
US-10993931-B2 Amide derivatives of N-urea substituted amino acids as formyl peptide receptor like-1 (FPRL-1) receptor modulators FPR1, FPR3, FPR2 ALDH1A1 4424/4885CYP1A2 4274/4885CYP2D6 3625/4885
US-20160235711-A1 AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS FPR1, FPR3, FPR2 ALDH1A1 4424/4885CYP1A2 4274/4885CYP2D6 3625/4885

“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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