SCHEMBL1947563

SCHEMBL1947563

CC(=O)O[C@@H](C(=O)OC(C)(C)C)[C@@H](OC(C)=O)C(=O)N(CCCl)c1ccc(Br)cc1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 3/20 0.30
POLB P06746 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CACNA1B Q00975 1/20 0.30
MAPT P10636 2/20 0.30
NPC1 O15118 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL1949940 0.90 LMNA (0.35) SMN1; SMN2LMNA
SCHEMBL1950273 0.90 MT-CO2 (0.35) SMN1; SMN2LMNACYP2D6CYP2C9CYP2C19
SCHEMBL1947566 0.89 LMNA (0.32) SMN1; SMN2LMNA
SCHEMBL1947495 0.89 LMNA (0.34) SMN1; SMN2LMNA
SCHEMBL1439326 0.89 MLYCD (0.33) SMN1; SMN2LMNATSHRALDH1A1POLB
SCHEMBL1948092 0.87 MLYCD (0.36) SMN1; SMN2LMNATSHRALDH1A1MAPT
SCHEMBL1949957 0.86 TSPO (0.35) SMN1; SMN2LMNAALDH1A1POLBMAPT
SCHEMBL6519022 0.85 ALDH1A1 (0.36) SMN1; SMN2LMNAALDH1A1POLBNPSR1
SCHEMBL1950109 0.82 ALDH1A1 (0.33) SMN1; SMN2LMNACYP2C9CYP2C19ALDH1A1
SCHEMBL1949941 0.79 LMNA (0.34) SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-06-09 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-20110135650-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 SMN1; SMN2 1538/4885LMNA 95/4885CYP2D6 3822/4885

“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.