SCHEMBL5963738

SCHEMBL5963738

CCOC(=O)[C@H](CCc1ccccc1)NC(=O)C(C)(C)NC(=O)[C@@H](SC(C)=O)C1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 8/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 2/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
REN P00797 2/20 0.37
ABCB11 O95342 2/20 0.37
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
AGTR2 P50052 1/20 0.36
PDE3A Q14432 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL3361131 0.89 CTSS (0.41) CTSL
SCHEMBL5963614 0.88 ACE (0.42) ACELMNAMEN1KMT2ACYP3A4
SCHEMBL5963437 0.83 ALDH1A1 (0.38)
SCHEMBL5963627 0.81 TACR2 (0.43) ACELMNA
SCHEMBL5963440 0.78 ACE (0.42) ACECTSL
SCHEMBL5963219 0.78 ACE (0.42) ACECTSL
SCHEMBL5980987 0.77 ITGB1 (0.40) ACEKMT2A
SCHEMBL3363745 0.77 CTSS (0.43) CTSL
SCHEMBL5970470 0.72 TACR2 (0.45) REN
SCHEMBL3366052 0.71 KLK7 (0.40)

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-9073885-B2 Vitamin D3 lactone derivatives TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
EP-1589009-B1 VITAMIN D3 LACTONE DERIVATIVE TEIJIN PHARMA LTD (JP) 2014-10-08 EP disclosed
US-20060148768-A1 Vitamin d3 lactone derivatives TEIJIN LIMITED (JP) 2006-07-06 US disclosed
EP-1589009-A1 VITAMIN D3 LACTONE DERIVATIVE Teijin Pharma Limited (JP) 2005-10-26 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-20060148768-A1 Vitamin d3 lactone derivatives VDR, CYP24A1, CYP2R1 ACE 2901/4885LMNA 399/4885MEN1 105/4885

“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.