SCHEMBL1994862

SCHEMBL1994862

CCOC(=O)OC(=O)[C@H](C)N(C(=O)OCC)C(CCc1ccccc1)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
ACE P12821 11/20 0.39
MAPT P10636 1/20 0.38
ABCB11 O95342 1/20 0.38
USP2 O75604 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1994865 1.00 SMN1; SMN2 (0.44) SMN1; SMN2LMNAL3MBTL1HSD17B10ALDH1A1
SCHEMBL4990259 0.85 SMN1; SMN2 (0.48) SMN1; SMN2LMNAL3MBTL1HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL5593739 0.84 SMN1; SMN2 (0.44) SMN1; SMN2LMNAL3MBTL1HSD17B10ALDH1A1
SCHEMBL28259387 0.82 SMN1; SMN2 (0.49) SMN1; SMN2LMNAL3MBTL1HSD17B10ALDH1A1
SCHEMBL6656395 0.81 SMN1; SMN2 (0.44) SMN1; SMN2LMNAL3MBTL1HSD17B10ALDH1A1
SCHEMBL6656396 0.81 SMN1; SMN2 (0.44) SMN1; SMN2LMNAL3MBTL1HSD17B10ALDH1A1
SCHEMBL8971348 0.81 SMN1; SMN2 (0.42) SMN1; SMN2LMNAL3MBTL1HSD17B10ALDH1A1
SCHEMBL8971352 0.81 SMN1; SMN2 (0.42) SMN1; SMN2LMNAL3MBTL1HSD17B10ALDH1A1
Hydrochloric Acid SCHEMBL5593857 0.80 SMN1; SMN2 (0.43) SMN1; SMN2LMNAL3MBTL1HSD17B10ALDH1A1
SCHEMBL11102007 0.78 SMN1; SMN2 (0.41) SMN1; SMN2LMNAACEABCB11USP2

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
EP-2044010-B1 NEW PHARMACEUTICAL INTERMEDIATES IN THE SYNTHESIS OF ACE-INIHIBITORS AND THE USE THEREOF EGIS GYOGYSZERGYAR NYILVANOSAN MUEKOEDO RESZVENYTARSASAG (HU) 2014-01-08 EP disclosed
US-7960558-B2 Pharmaceutical intermediate for synthesizing ACE inhibitors and the use thereof EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2011-06-14 US disclosed
US-20100286404-A1 PHARMACEUTICAL INTERMEDIATES IN THE SYNTHESIS OF ACE-INHIBITORS AND THE USE THEREOF EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2010-11-11 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-20100286404-A1 PHARMACEUTICAL INTERMEDIATES IN THE SYNTHESIS OF ACE-INHIBITORS AND THE USE THEREOF ACE, AGTR1, REN SMN1; SMN2 4385/4885LMNA 2592/4885L3MBTL1 2820/4885

“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.