SCHEMBL5860469

SCHEMBL5860469

CC(C)[C@@H](CC(=O)O)Nc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.47
▸ TSHR P16473 3/20 0.45
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ ALOX12 P18054 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MMP2 P08253 2/20 0.40
▸ FFAR1 O14842 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ CA12 O43570 1/20 0.40

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
SCHEMBL5860476 1.00 ADAMTS4 (0.51) ADAMTS4TDP1TSHRLMNAHPGD
SCHEMBL5861572 0.81 ALDH1A1 (0.50) TDP1TSHRLMNAHPGDGAA
SCHEMBL2705958 0.81 ALDH1A1 (0.50) TDP1TSHRLMNAHPGDGAA
SCHEMBL4124188 0.81 ALDH1A1 (0.50) TDP1TSHRLMNAHPGDGAA
SCHEMBL28242825 0.80 ALDH1A1 (0.47) TDP1TSHRLMNAGAAALDH1A1
SCHEMBL939400 0.78 LMNA (0.45) TDP1TSHRLMNAHPGDGAA
SCHEMBL16569135 0.78 LMNA (0.45) TDP1TSHRLMNAHPGDGAA
SCHEMBL18553327 0.77 POLB (0.49) ADAMTS4LMNAGAAALDH1A1L3MBTL1
SCHEMBL30919964 0.77 POLB (0.49) ADAMTS4LMNAGAAALDH1A1L3MBTL1
SCHEMBL30920005 0.77 POLB (0.49) ADAMTS4LMNAGAAALDH1A1L3MBTL1

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
US-7145030-B2 Production method for optically active N-aryl-β-amino acid compounds AJINOMOTO CO., INC. (JP) 2006-12-05 — — US disclosed
US-20040267043-A1 Production method for optically active N-aryl-beta-amino acid compounds AJINOMOTO CO., INC. (JP) 2004-12-30 — — US disclosed
EP-1471050-A1 Production method for optically active N-aryl-beta-amino acid compounds Ajinomoto Co., Inc. (JP) 2004-10-27 — — EP 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-20040267043-A1 Production method for optically active N-aryl-beta-amino acid compounds AADAT, AADAC, DDC ADAMTS4 4509/4885TDP1 4634/4885TSHR 3165/4885

“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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