SCHEMBL5221940

SCHEMBL5221940

CCSC(=O)CC[C@H](NCC(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ABCC3 O15438 1/20 0.43
NR1I2 O75469 1/20 0.43
ABCB11 O95342 1/20 0.43
NR3C1 P04150 1/20 0.43
RARG P13631 1/20 0.43
CNR1 P21554 1/20 0.43
OPRK1 P41145 1/20 0.43
NR1H2 P55055 1/20 0.43
PPARA Q07869 1/20 0.43
NR1H3 Q13133 1/20 0.43
NR1I3 Q14994 1/20 0.43

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
SCHEMBL5216947 0.92 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL23485564 0.82 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL25840242 0.82 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL21657923 0.79 SIRT2 (0.48) ALDH1A1MEN1KMT2AHPGDSIRT2
SCHEMBL24021073 0.79 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL21271491 0.79 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL21271493 0.79 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL21271490 0.79 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL23011534 0.78 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL25840243 0.78 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AHPGDCYP1A2

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-1575900-A4 N-METHYL AMINO ACIDS UBIQUITOUS TECHNOLOGIES PTY LT (AU) 2007-02-21 EP disclosed
US-20050245432-A1 N-methyl amino acids UBIQUITOUS TECHNOLOGIES PTY. LTD. (AU) 2005-11-03 US disclosed
EP-1575900-A1 N-METHYL AMINO ACIDS UBIQUITOUS TECHNOLOGIES PTY LTD (AU) 2005-09-21 EP disclosed
WO-2004007427-A1 N-METHYL AMINO ACIDS UBIQUITOUS TECHNOLOGIES PTY LTD (AU) 2004-01-22 WO 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-20050245432-A1 N-methyl amino acids VIP, NPPA, PTMS ALDH1A1 4663/4885MEN1 477/4885KMT2A 601/4885

“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.