SCHEMBL5658127

SCHEMBL5658127

CCC(C)C(NCc1ccccc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.57
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ATM Q13315 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ACE P12821 2/20 0.48
MME P08473 1/20 0.48
CPA1 P15085 1/20 0.48
ACE2 Q9BYF1 1/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 1/20 0.46

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
SCHEMBL18782332 1.00 ANPEP (0.57) ANPEPALDH1A1MEN1KMT2AATM
SCHEMBL5658130 1.00 ANPEP (0.57) ANPEPALDH1A1MEN1KMT2AATM
SCHEMBL8069933 1.00 ANPEP (0.57) ANPEPALDH1A1MEN1KMT2AATM
SCHEMBL27487680 0.89 ANPEP (0.53) ANPEPALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL7284516 0.89 ANPEP (0.53) ANPEPALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL10448479 0.89 ANPEP (0.53) ANPEPALDH1A1MEN1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL8617719 0.87 ANPEP (0.52) ANPEPMEN1KMT2ASIGMAR1
SCHEMBL4170192 0.87 TRPM8 (0.55) ANPEPALDH1A1MEN1KMT2AATM
SCHEMBL4166663 0.87 TRPM8 (0.55) ANPEPALDH1A1MEN1KMT2AATM
Hydrochloric Acid SCHEMBL27488757 0.87 ANPEP (0.52) ANPEPMEN1KMT2ASIGMAR1

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
CN-107365368-B Asperphenamate synthesis related protein, coding gene and application thereof 中国科学院微生物研究所 2020-09-08 CN claimed
CN-107365368-A Asperphenamate synthesis associated proteins and its encoding gene and application 中国科学院微生物研究所 2017-11-21 CN claimed
US-10858423-B2 Composition for the treatment of IGF-1R expressing cancer PIERRE FABRE MEDICAMENT (FR) 2020-12-08 US disclosed
CN-107365368-B Asperphenamate synthesis related protein, coding gene and application thereof 中国科学院微生物研究所 2020-09-08 CN disclosed
US-20180222858-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2018-08-09 US disclosed
CN-107365368-A Asperphenamate synthesis associated proteins and its encoding gene and application 中国科学院微生物研究所 2017-11-21 CN disclosed
US-7312343-B2 N-benzyl-protected dialkyl acetal derivatives undergo desired aldol reaction with high diastereoselectivity using a Mukaiyama aldol reaction; intermediates in the synthesis of other products, including, e.g. Dolastatin 10 HOFFMANN-LA ROCHE INC. (US) 2007-12-25 US disclosed
CN-1960965-A Synthesis of amino-alkoxy-heptanoic alkyl ester HOFFMANN LA ROCHE (CH) 2007-05-09 CN disclosed
US-20050272665-A1 Synthesis of alpha-amino-beta-alkoxy-carboxylic acid esters F. HOFFMANN-LA ROCHE AG (CH) 2005-12-08 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 (3 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-10858423-B2 Composition for the treatment of IGF-1R expressing cancer IGF1R, IGFBP1, IGFBP5 ANPEP 1782/4885ALDH1A1 532/4885MEN1 185/4885
US-20180222858-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, HCAR3, VDR ANPEP 2321/4885ALDH1A1 2916/4885MEN1 2933/4885
US-20050272665-A1 Synthesis of alpha-amino-beta-alkoxy-carboxylic acid esters ALDH7A1, BCAT1, BCAT2 ANPEP 40/4885ALDH1A1 88/4885MEN1 1424/4885

“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.