SCHEMBL1401162

SCHEMBL1401162

COC(=O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 10/20 0.79
▸ CYSLTR2 Q9NS75 9/20 0.78
▸ CYP2C8 P10632 2/20 0.78
▸ MEN1 O00255 1/20 0.78
▸ RECQL P46063 1/20 0.78
▸ BLM P54132 1/20 0.78
▸ KMT2A Q03164 1/20 0.78
▸ ABCB11 O95342 1/20 0.78
▸ EGFR P00533 1/20 0.78
▸ ESR1 P03372 1/20 0.78
▸ NR3C1 P04150 1/20 0.78
▸ FYN P06241 1/20 0.78
▸ PGR P06401 1/20 0.78
▸ ADRB2 P07550 1/20 0.78
▸ ADRB1 P08588 1/20 0.78
▸ ADRA2A P08913 1/20 0.78
▸ ADORA3 P0DMS8 1/20 0.78
▸ CHRM1 P11229 1/20 0.78
▸ ADRB3 P13945 1/20 0.78
▸ ADRA2B P18089 1/20 0.78

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
SCHEMBL10054292 1.00 CYSLTR1 (0.79) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL12724464 1.00 CYSLTR1 (0.79) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL3265520 1.00 CYSLTR1 (0.79) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL5002515 0.93 CYSLTR1 (0.68) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL13042615 0.93 CYSLTR1 (0.68) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL5002518 0.93 CYSLTR1 (0.68) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL5002513 0.93 CYSLTR1 (0.68) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL8761836 0.92 CYSLTR1 (0.82) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL538484 0.92 CYSLTR1 (0.82) CYSLTR1CYSLTR2CYP2C8MEN1RECQL
SCHEMBL30719989 0.92 CYSLTR1 (0.82) CYSLTR1CYSLTR2CYP2C8MEN1RECQL

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-20110137039-A1 PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS MYLAN LABORATORIES LIMITED (IN) 2011-06-09 — — US disclosed
EP-1812394-B1 PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS MATRIX LAB LTD (IN) 2011-03-02 — — EP disclosed
US-7829716-B2 decyclization of {3-[(E)-2(7-chloro-2-quinolinyl)vinyl]phenyl}-4,5-dihydro-3H-benzo[c]thiepin-1-one by methylmagnesium halide with following conversion to montelukast Synthon Pharmaceuticals, Inc. (US) 2010-11-09 — — US disclosed
EP-1740545-B1 PROCESS FOR MAKING MONTELUKAST AND INTERMEDIATES THEREFOR SYNTHON BV (NL) 2010-03-24 — — 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-20110137039-A1 PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS MPST, CMA1, LTC4S CYSLTR1 4/4885CYSLTR2 5/4885CYP2C8 616/4885

“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.

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