SCHEMBL3780083

SCHEMBL3780083

C=C(c1cccc(C(CCBr)c2ccccc2C(=O)OC)c1)c1ccc2ccc(Cl)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ CBLB Q13191 1/20 0.35
▸ ALOX5AP P20292 2/20 0.34
▸ PRMT5 O14744 1/20 0.34
▸ WDR77 Q9BQA1 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL1401054 0.92 PLA2G2A (0.38) PLA2G2AABCG2KDM4ECBLBALOX5AP
SCHEMBL1401180 0.92 PLA2G2A (0.38) PLA2G2AABCG2KDM4ECBLBALOX5AP
SCHEMBL3779584 0.92 PLA2G2A (0.38) PLA2G2AABCG2KDM4ECBLBALOX5AP
SCHEMBL5498781 0.83 CBLB (0.34) KDM4ECBLBTP53MAPT
SCHEMBL5493630 0.83 PNP (0.38) CBLBTP53
SCHEMBL5502332 0.82 CBLB (0.34) KDM4ECBLBTP53MAPT
SCHEMBL3780082 0.82 ABCG2 (0.36) PLA2G2AABCG2CBLB
SCHEMBL3809770 0.81 PLA2G2A (0.39) PLA2G2AABCG2KDM4EALOX5APPRMT5
SCHEMBL1401053 0.81 PLA2G2A (0.36) PLA2G2ACBLB
SCHEMBL3773863 0.81 PLA2G2A (0.36) PLA2G2ACBLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812393-B1 METHYL 2-[(3S)-[3-[(2E)-(7-CHLOROQUINOLIN-2-YL) ETHENYL]PHENYL]-3-HALOPROPYL]-BENZOATE ESTER MATRIX LAB LTD (IN) 2011-12-28 — — EP claimed
US-7858793-B2 Methyl 2-[(3S)-[3-[2E)-(7-chloro quinolin-2-yl) ethenyl] phenyl]-3-halopropyl] benzoates SATYANARAYANA CHAVA 2010-12-28 — — US claimed
US-20080275243-A1 Process for the Preparation of Polymorphs, Solvates of Aripiprazole Using Aripiprazole Acid Salts SATYANARAYANA CHAVA 2008-11-06 — — US claimed
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 claimed
EP-1812394-A2 PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS Matrix Laboratories Ltd (IN) 2007-08-01 — — EP claimed
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 claimed
WO-2006008751-A2 PROCESS FOR THE PREPARATION OF MONTELUKAST AND ITS SALTS MATRIX LABORATORIES LTD (IN) 2006-01-26 — — WO claimed
EP-1812393-B1 METHYL 2-[(3S)-[3-[(2E)-(7-CHLOROQUINOLIN-2-YL) ETHENYL]PHENYL]-3-HALOPROPYL]-BENZOATE ESTER MATRIX LAB LTD (IN) 2011-12-28 — — 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-20080275243-A1 Process for the Preparation of Polymorphs, Solvates of Aripiprazole Using Aripiprazole Acid Salts SATYANARAYANA CHAVA 2008-11-06 — — US 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
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

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-20080275243-A1 Process for the Preparation of Polymorphs, Solvates of Aripiprazole Using Aripiprazole Acid Salts HTR3C, HTR3B, TPMT PLA2G2A 3773/4885ABCG2 39/4885KDM4E 440/4885

“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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