SCHEMBL21095440

SCHEMBL21095440

N=C(N)NCCCC(NC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 1/20 0.42
FOLH1 Q04609 7/20 0.41
GNPAT O15228 1/20 0.38
NOD1 Q9Y239 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
ALOX15 P16050 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPY4R P50391 3/20 0.35
NPY1R P25929 2/20 0.35
NPY2R P49146 2/20 0.35
NPY5R Q15761 2/20 0.35
RIMKLA Q8IXN7 1/20 0.35
NAALAD2 Q9Y3Q0 1/20 0.35
EPHX2 P34913 1/20 0.35
SHMT1 P34896 1/20 0.35

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
SCHEMBL27864032 1.00 C3AR1 (0.42) C3AR1FOLH1GNPATNOD1ITGB3
Guanidine SCHEMBL28238974 0.98 C3AR1 (0.41) C3AR1FOLH1GNPATNOD1ITGB3
SCHEMBL12971304 0.91 C3AR1 (0.43) C3AR1FOLH1GNPATNOD1ITGB3
SCHEMBL29005731 0.91 C3AR1 (0.43) C3AR1FOLH1GNPATNOD1ITGB3
SCHEMBL5490001 0.90 C3AR1 (0.45) C3AR1FOLH1GNPATNOD1CTDSP1
SCHEMBL1765043 0.90 C3AR1 (0.45) C3AR1FOLH1GNPATNOD1CTDSP1
SCHEMBL1765039 0.90 C3AR1 (0.45) C3AR1FOLH1GNPATNOD1CTDSP1
SCHEMBL468901 0.87 FOLH1 (0.49) C3AR1FOLH1GNPATNOD1ALOX15
SCHEMBL8678705 0.87 FOLH1 (0.46) C3AR1FOLH1GNPATNOD1ITGB3
SCHEMBL6026003 0.87 FOLH1 (0.49) C3AR1FOLH1GNPATNOD1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113454222-A Amyloid Precursor Protein (APP) RNAi agent compositions and methods of use thereof 阿尼拉制药公司 2021-09-28 CN disclosed
US-10857083-B2 Amino acid carbamate complexes COLGATE-PALMOLIVE COMPANY (US) 2020-12-08 US disclosed
US-20190183765-A1 Amino Acid Carbamate Complexes COLGATE-PALMOLIVE COMPANY (US) 2019-06-20 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 (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-10857083-B2 Amino acid carbamate complexes CPS1, GLUL, PROC C3AR1 1607/4885FOLH1 858/4885GNPAT 4212/4885
US-20190183765-A1 Amino Acid Carbamate Complexes CPS1, GLUL, PROC C3AR1 1607/4885FOLH1 858/4885GNPAT 4212/4885

“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.