SCHEMBL22188906

SCHEMBL22188906

COC(=O)c1ccc(C(=O)c2cn(C)c3ccc([N+](=O)[O-])cc23)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.44
▸ F2 P00734 2/20 0.44
▸ PLAU P00749 2/20 0.44
▸ CTRB1 P17538 2/20 0.44
▸ KLKB1 P03952 1/20 0.44
▸ PLA2G4A P47712 1/20 0.42
▸ LTB4R Q15722 1/20 0.42
▸ NR4A2 P43354 3/20 0.42
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ POLB P06746 1/20 0.40

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
SCHEMBL22188909 0.91 PLA2G4A (0.52) ELANEF2PLAUCTRB1KLKB1
SCHEMBL29263665 0.82 NR4A2 (0.59) ELANEF2PLAUCTRB1KLKB1
SCHEMBL22188916 0.82 EPHX2 (0.50) —
SCHEMBL3679305 0.81 PLA2G4A (0.61) PLA2G4ALTB4R
SCHEMBL9485938 0.81 MAPK1 (0.60) ELANEGAAMAPK1HTTNPSR1
SCHEMBL22188908 0.78 ALDH1A1 (0.56) HTTMEN1KMT2AMAPTALDH1A1
SCHEMBL9486190 0.77 POLB (0.47) GAAMAPK1HTTNPSR1MEN1
SCHEMBL22188914 0.76 POLB (0.62) ELANEF2PLAUCTRB1KLKB1
SCHEMBL13767657 0.75 PLA2G4A (0.61) ELANEF2PLAUCTRB1KLKB1
SCHEMBL28265756 0.74 MAPT (0.46) ELANEF2PLAUCTRB1KLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752585-B2 Process for the preparation of Zafirlukast and analogs thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-08-25 — — US disclosed
US-20200216390-A1 PROCESS FOR THE PREPARATION OF ZAFIRLUKAST AND ANALOGS THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-07-09 — — 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 (2 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-10752585-B2 Process for the preparation of Zafirlukast and analogs thereof CHUK, HRH2, CTSH ELANE 3599/4885F2 1154/4885PLAU 961/4885
US-20200216390-A1 PROCESS FOR THE PREPARATION OF ZAFIRLUKAST AND ANALOGS THEREOF CHUK, CTSH, HRH2 ELANE 3704/4885F2 1138/4885PLAU 781/4885

“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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