SCHEMBL1401179

SCHEMBL1401179

C=C(c1cccc([C@@H](O)CCc2ccccc2C(=O)OC)c1)c1ccc2ccc(Cl)cc2n1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.36
▸ ADRB2 P07550 1/20 0.36
▸ ADRB1 P08588 1/20 0.36
▸ ADRB3 P13945 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CBLB Q13191 1/20 0.35

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
SCHEMBL3773863 1.00 PLA2G2A (0.36) PLA2G2AADRB2ADRB1ADRB3ALDH1A1
SCHEMBL1401053 0.92 PLA2G2A (0.36) PLA2G2AALDH1A1LMNACBLB
SCHEMBL3780082 0.91 ABCG2 (0.36) PLA2G2AALDH1A1LMNACBLB
SCHEMBL3779589 0.91 PLA2G2A (0.36) PLA2G2A
SCHEMBL5493627 0.90 POLB (0.38) —
SCHEMBL3809767 0.82 CYSLTR1 (0.41) PLA2G2AALDH1A1LMNA
SCHEMBL3773865 0.81 PLA2G2A (0.41) PLA2G2AALDH1A1LMNA
SCHEMBL1401054 0.81 PLA2G2A (0.38) PLA2G2AALDH1A1LMNACBLB
SCHEMBL1401180 0.81 PLA2G2A (0.38) PLA2G2AALDH1A1CBLB
SCHEMBL12927207 0.81 PLA2G2A (0.50) PLA2G2A

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 18 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
US-20110092708-A1 PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS THEREOF MYLAN LABORATORIES LIMITED (IN) 2011-04-21 — — US disclosed
EP-1812394-B1 PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS MATRIX LAB LTD (IN) 2011-03-02 — — EP disclosed
US-7858793-B2 Methyl 2-[(3S)-[3-[2E)-(7-chloro quinolin-2-yl) ethenyl] phenyl]-3-halopropyl] benzoates SATYANARAYANA CHAVA 2010-12-28 — — US disclosed
US-7858793-B2 Methyl 2-[(3S)-[3-[2E)-(7-chloro quinolin-2-yl) ethenyl] phenyl]-3-halopropyl] benzoates SATYANARAYANA CHAVA 2010-12-28 — — US disclosed
EP-2069307-A2 PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS THEREOF Matrix Laboratories Ltd (IN) 2009-06-17 — — EP disclosed
US-20090143590-A1 Process for the Preparation of Montelukast and its Salts MATRIX LABORATORIES LTD. (IN) 2009-06-04 — — US disclosed
US-20080275243-A1 Process for the Preparation of Polymorphs, Solvates of Aripiprazole Using Aripiprazole Acid Salts SATYANARAYANA CHAVA 2008-11-06 — — US disclosed
US-20080275243-A1 Process for the Preparation of Polymorphs, Solvates of Aripiprazole Using Aripiprazole Acid Salts SATYANARAYANA CHAVA 2008-11-06 — — US disclosed
US-20080146809-A1 Process for the Preparation of Novel Amorphous Montelukast Sodium MATRIX LABORATORIES LTD (IN) 2008-06-19 — — US disclosed
WO-2008015703-A2 PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS THEREOF MATRIX LABORATORIES LTD (IN) 2008-02-07 — — WO disclosed
EP-1831171-A1 PROCESS FOR THE PREPARATION OF NOVEL AMORPHOUS MONTELUKAST SODIUM Matrix Laboratories Ltd (IN) 2007-09-12 — — EP disclosed
EP-1812393-A2 \"METHYL 2-[(3S)-[3-[(2E)-(7-CHLORO QUINOLIN-2-YL) ETHENYL] PHENYL]-3-HALOPROPYL] BENZOATES” Matrix Laboratories Ltd (IN) 2007-08-01 — — EP disclosed
EP-1812394-A2 PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS Matrix Laboratories Ltd (IN) 2007-08-01 — — EP disclosed
WO-2006008750-A3 METHYL 2-[(3S)-[3-[(2E)-(7-CHLORO QUINOLIN-2-YL) ETHENYL] PHENYL]-3-HALOPROPYL] BENZOATES MATRIX LAB LTD (IN) 2006-12-21 — — WO disclosed
WO-2006054317-A1 PROCESS FOR THE PREPARATION OF NOVEL AMORPHOUS MONTELUKAST SODIUM MATRIX LABORATORIES LTD (IN) 2006-05-26 — — WO disclosed
WO-2006008750-A2 METHYL 2-[(3S)-[3-[(2E)-(7-CHLORO QUINOLIN-2-YL) ETHENYL] PHENYL]-3-HALOPROPYL] BENZOATES MATRIX LABORATORIES LTD (IN) 2006-01-26 — — WO disclosed
WO-2006008751-A2 PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS MATRIX LABORATORIES LTD (IN) 2006-01-26 — — WO 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 (5 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-20090143590-A1 Process for the Preparation of Montelukast and its Salts CMA1, CYSLTR1, CYSLTR2 PLA2G2A 3342/4885ADRB2 100/4885ADRB1 47/4885
US-20110092708-A1 PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS THEREOF CMA1, LTC4S, LTA4H PLA2G2A 2394/4885ADRB2 200/4885ADRB1 71/4885
US-20080275243-A1 Process for the Preparation of Polymorphs, Solvates of Aripiprazole Using Aripiprazole Acid Salts HTR3C, HTR3B, TPMT PLA2G2A 3773/4885ADRB2 452/4885ADRB1 668/4885
US-20110137039-A1 PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS MPST, CMA1, LTC4S PLA2G2A 3274/4885ADRB2 182/4885ADRB1 106/4885
US-20080146809-A1 Process for the Preparation of Novel Amorphous Montelukast Sodium CMA1, MAST1, MAST3 PLA2G2A 3289/4885ADRB2 1385/4885ADRB1 1151/4885

“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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