SCHEMBL22188909

SCHEMBL22188909

COc1cc(C(=O)O)ccc1C(=O)c1cn(C)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 1/20 0.52
▸ LTB4R Q15722 1/20 0.52
▸ TTR P02766 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ CDK2 P24941 4/20 0.43
▸ GAA P10253 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TUBB4A P04350 3/20 0.41
▸ TUBB P07437 3/20 0.41
▸ TUBA3C P0DPH7 3/20 0.41
▸ TUBA1B P68363 3/20 0.41
▸ TUBA4A P68366 3/20 0.41
▸ TUBB4B P68371 3/20 0.41
▸ TUBB3 Q13509 3/20 0.41
▸ TUBB2A Q13885 3/20 0.41
▸ TUBB8 Q3ZCM7 3/20 0.41
▸ TUBA3E Q6PEY2 3/20 0.41

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
SCHEMBL22188906 0.91 ELANE (0.44) PLA2G4ALTB4RTTRALDH1A1POLB
SCHEMBL9485938 0.81 MAPK1 (0.60) ALDH1A1POLBGAAMAPK1HTT
SCHEMBL22188916 0.81 EPHX2 (0.50) —
SCHEMBL28394312 0.80 PLA2G4A (0.62) PLA2G4ALTB4RTTRALDH1A1POLB
SCHEMBL9117646 0.80 PLA2G4A (0.73) PLA2G4ALTB4RTTR
SCHEMBL5327849 0.79 CDK2 (0.56) ALDH1A1POLBCDK2MAPT
SCHEMBL22188914 0.79 POLB (0.62) ALDH1A1POLBCDK2GAAHTT
SCHEMBL22188908 0.79 ALDH1A1 (0.56) ALDH1A1POLBCDK2HTTMAPT
SCHEMBL9486190 0.78 POLB (0.47) ALDH1A1POLBCDK2GAAMAPK1
SCHEMBL29263665 0.76 NR4A2 (0.59) ALDH1A1POLBCDK2HTTF2

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 PLA2G4A 3995/4885LTB4R 2216/4885TTR 4829/4885
US-20200216390-A1 PROCESS FOR THE PREPARATION OF ZAFIRLUKAST AND ANALOGS THEREOF CHUK, CTSH, HRH2 PLA2G4A 4157/4885LTB4R 2228/4885TTR 4774/4885

“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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