SCHEMBL5568037

SCHEMBL5568037

CC(=O)NCC(N)Cc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.69
MTNR1A P48039 1/20 0.64
MTNR1B P49286 1/20 0.64
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
SLC7A5 Q01650 1/20 0.55
EPHX1 P07099 1/20 0.53
GGT1 P19440 1/20 0.50

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
SCHEMBL218877 0.86 MMP2 (0.73) MMP2ALPIPKMPTGS1XIAP
SCHEMBL218878 0.86 MMP2 (0.73) MMP2ALPIPKMPTGS1XIAP
SCHEMBL2876751 0.86 MMP2 (0.73) MMP2ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL23051768 0.84 MMP2 (0.71) MMP2ALPIPKMPTGS1XIAP
SCHEMBL20717803 0.84 MMP2 (0.71) MMP2ALPIPKMPTGS1XIAP
SCHEMBL20717933 0.84 MMP2 (0.71) MMP2ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL23051769 0.84 MMP2 (0.71) MMP2ALPIPKMPTGS1XIAP
SCHEMBL27791789 0.83 MMP2 (0.65) MMP2EPHX1GGT1
SCHEMBL19989734 0.83 MMP2 (0.65) MMP2EPHX1GGT1
SCHEMBL6692780 0.83 MTNR1A (0.58) MMP2MTNR1AMTNR1BALPIPKM

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
US-7183443-B2 Process for the preparation of enantiomerically enriched compounds DSM IP ASSETS B.V. (NL) 2007-02-27 US disclosed
US-20050215822-A1 Process for the preparation of enantiomerically enriched compounds DSM IP ASSETS B.V. (NL) 2005-09-29 US disclosed
EP-1492760-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED COMPOUNDS DSM IP Assets B.V. (NL) 2005-01-05 EP disclosed
WO-2003087033-A1 PROCESS FOR THE PREPARATION OF ENANTIOMERICALLY ENRICHED COMPOUNDS DSM IP ASSETS B.V. (NL) 2003-10-23 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-20050215822-A1 Process for the preparation of enantiomerically enriched compounds ADH1C, ADH1A, ADH5 MMP2 966/4885MTNR1A 3334/4885MTNR1B 3539/4885

“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.