SCHEMBL6525145

SCHEMBL6525145

CC(=O)O[C@@H](C(=O)O)[C@@H](OC(C)=O)C(=O)N(CCCl)c1ccc(F)cc1C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL17237651 0.87 POLB (0.32) LMNASMN1; SMN2TSHR
SCHEMBL1948850 0.86 LMNA (0.32) LMNASMN1; SMN2
SCHEMBL1948852 0.85 LMNA (0.31) LMNASMN1; SMN2
SCHEMBL6521242 0.82 CYP3A4 (0.36) LMNASMN1; SMN2
SCHEMBL6527257 0.80 SLC6A4 (0.33) TSHR
SCHEMBL6523153 0.76 SMN1; SMN2 (0.36) LMNASMN1; SMN2
SCHEMBL1948426 0.75 TSHR (0.30) TSHR
SCHEMBL6527272 0.74 KMT2A (0.37) LMNASMN1; SMN2
SCHEMBL1948424 0.73 ADRB2 (0.32) TSHR
SCHEMBL6519022 0.73 ALDH1A1 (0.36) LMNASMN1; SMN2

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
US-8987242-B2 Morpholinone compounds as factor IXA inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-24 US disclosed
US-8642582-B2 Morpholinone compounds as factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2014-02-04 US disclosed
US-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-10 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-20110059958-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS SERPINC1, F9, F8 LMNA 95/4885SMN1; SMN2 1538/4885TSHR 2827/4885

“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.