SCHEMBL31369710

SCHEMBL31369710

C=CCC[C@@H](NC)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.37
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.33
DDAH1 O94760 1/20 0.33
ABCC4 O15439 1/20 0.33
LMNA P02545 1/20 0.33
PLA2G2C Q5R387 1/20 0.33
FOLH1 Q04609 3/20 0.32
NAALAD2 Q9Y3Q0 3/20 0.32
RIMKLA Q8IXN7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS2 P35354 1/20 0.32
THPO P40225 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GGH Q92820 1/20 0.32

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
Hydrochloric Acid SCHEMBL2982200 0.98 TGFBR1 (0.36) TGFBR1ALDH1A1MAPTDDAH1ABCC4
Trifluoroacetic Acid SCHEMBL27041508 0.89 TGFBR1 (0.32) TGFBR1
SCHEMBL10288381 0.88 MAPT (0.39) ALDH1A1MAPTDDAH1ABCC4LMNA
SCHEMBL1271960 0.88 MAPT (0.39) ALDH1A1MAPTDDAH1ABCC4LMNA
SCHEMBL31370342 0.86 MAPT (0.42) ALDH1A1MAPTDDAH1ABCC4LMNA
SCHEMBL12513863 0.85 MAPT (0.46) ALDH1A1MAPTDDAH1ABCC4LMNA
SCHEMBL19861653 0.81 FOLH1 (0.44) TGFBR1ALDH1A1MAPTLMNAFOLH1
SCHEMBL23561261 0.81 PLA2G2C (0.33) ALDH1A1LMNAPLA2G2C
SCHEMBL13822050 0.81 ALDH1A1 (0.39) TGFBR1ALDH1A1MAPTLMNAFOLH1
SCHEMBL20930337 0.81 ALDH1A1 (0.39) TGFBR1ALDH1A1MAPTLMNAFOLH1

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 TGFBR1 3727/4885ALDH1A1 4472/4885MAPT 1809/4885

“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.