SCHEMBL4044987

SCHEMBL4044987

NC(=O)[C@@H](C[C@@H](O)[CH]Cc1ccccc1)C(=O)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 4/20 0.51
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
LNPEP Q9UIQ6 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL4342649 0.86 SMN1; SMN2 (0.52) KMT2AGAAALDH1A1
SCHEMBL4041195 0.85 MMP1 (0.41) MMP8ERAP2ERAP1LNPEP
SCHEMBL4039656 0.84 HDAC1 (0.42) GAAALDH1A1
SCHEMBL3936972 0.84 REN (0.47) MMP8KMT2AALDH1A1
SCHEMBL4040963 0.84 REN (0.47) MMP8KMT2AALDH1A1
SCHEMBL4043492 0.83 VNN1 (0.39) MMP8
SCHEMBL4039170 0.83 HPGD (0.41) MMP8ALDH1A1
SCHEMBL4045052 0.79 LMNA (0.46) KMT2A
SCHEMBL4040058 0.78 ALDH1A1 (0.45) KMT2AGAAALDH1A1
SCHEMBL4042449 0.77 SMN1; SMN2 (0.40) GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-B1 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA SA (FR) 2009-01-14 EP disclosed
US-20070238734-A1 JNK INHIBITORS SANOLI-AVENTIS (FR) 2007-10-11 US disclosed
US-7148215-B2 Prodrugs as antihistamines or anticarcinogenic agents AVENTIS PHARMA S.A. (FR) 2006-12-12 US disclosed
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents AVENTIS PHARMA S.A, (FR) 2005-01-13 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-20070238734-A1 JNK INHIBITORS MAP3K7, MAPKAPK2, MAPK7 MMP8 1842/4885ERAP2 2872/4885ERAP1 2107/4885
US-20050009831-A1 Pyrrolo[1,2-a]pyrazine-8-carboxamides are JNK inhibitors, useful as anticarcinogenic agents CNKSR1, ROS1, NRAS MMP8 1228/4885ERAP2 4507/4885ERAP1 4211/4885

“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.