SCHEMBL83022

SCHEMBL83022

CSCCC(N)C(=O)N(C=O)C(Cc1ccc(C(=O)C(N)CC(C)C)cc1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.35
RNPEP Q9H4A4 1/20 0.35
DNPEP Q9ULA0 1/20 0.35
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
TACR3 P29371 3/20 0.33
FNTA P49354 5/20 0.32
FNTB P49356 5/20 0.32
PGGT1B P53609 3/20 0.32
KRAS P01116 1/20 0.32
LTA4H P09960 1/20 0.31
MARS1 P56192 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL3382819 0.84 ALPI (0.42) FNTAFNTBPGGT1BKMT2A
SCHEMBL1394213 0.81 SLC7A5 (0.38) RNPEPMARS1
SCHEMBL154435 0.79 FNTA (0.34) ANPEPRNPEPDNPEPMMP2MMP9
SCHEMBL907397 0.78 FNTA (0.47) TACR3FNTAFNTBPGGT1BLTA4H
SCHEMBL2213322 0.76 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL2213310 0.76 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL1128048 0.76 ANPEP (0.50) ANPEPRNPEPDNPEPMMP2MMP9
Acetic Acid SCHEMBL15201184 0.74 ANPEP (0.48) ANPEPRNPEPDNPEPMMP2MMP9
SCHEMBL83020 0.73 FPR1 (0.47) FNTAFNTBPGGT1B
SCHEMBL28194148 0.71 ANPEP (0.42) ANPEPRNPEPDNPEPTACR3FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129386-B2 Fused azole-pyrimidine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2009-10-29 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 (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-20090270388-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES PIK3CA, PIK3CD, PIK3R5 ANPEP 2435/4885RNPEP 2349/4885DNPEP 956/4885

“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.