SCHEMBL5002518

SCHEMBL5002518

COC(=O)c1ccccc1CCC(SCC1(CO)CC1)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYSLTR1 Q9Y271 3/20 0.68
▸ CYP2C8 P10632 2/20 0.67
▸ CYSLTR2 Q9NS75 2/20 0.67
▸ MEN1 O00255 1/20 0.67
▸ RECQL P46063 1/20 0.67
▸ BLM P54132 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ ABCB11 O95342 1/20 0.67
▸ EGFR P00533 1/20 0.67
▸ ESR1 P03372 1/20 0.67
▸ NR3C1 P04150 1/20 0.67
▸ FYN P06241 1/20 0.67
▸ PGR P06401 1/20 0.67
▸ ADRB2 P07550 1/20 0.67
▸ ADRB1 P08588 1/20 0.67
▸ ADRA2A P08913 1/20 0.67
▸ ADORA3 P0DMS8 1/20 0.67
▸ CHRM1 P11229 1/20 0.67
▸ ADRB3 P13945 1/20 0.67
▸ ADRA2B P18089 1/20 0.67

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
SCHEMBL5002513 1.00 CYSLTR1 (0.68) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL5002515 1.00 CYSLTR1 (0.68) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL13042615 0.94 CYSLTR1 (0.68) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL10054292 0.93 CYSLTR1 (0.79) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL12724464 0.93 CYSLTR1 (0.79) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL1401162 0.93 CYSLTR1 (0.79) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL3265520 0.93 CYSLTR1 (0.79) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL13424212 0.92 CYSLTR1 (0.64) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL12596761 0.92 CYSLTR1 (0.64) CYSLTR1CYP2C8CYSLTR2MEN1RECQL
SCHEMBL13302229 0.89 CYSLTR1 (0.61) CYSLTR1CYP2C8CYSLTR2MEN1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948611-B1 Process for the preparation of a leukotriene antagonist and intermediates thereof ESTEVE QUIMICA SA (ES) 2012-05-23 — — EP disclosed
US-20080306270-A1 Process for the Preparation of a Leukotriene Antagonist and Intermediates Thereof Esteve Química, S.A. (ES) 2008-12-11 — — US disclosed
EP-1948611-A2 PROCESS FOR THE PREPARATION OF A LEUKOTRIENE ANTAGONIST AND INTERMEDIATES THEREOF ESTEVE QUIMICA, S.A. (ES) 2008-07-30 — — EP disclosed
WO-2007051828-A2 PROCESS FOR THE PREPARATION OF A LEUKOTRIENE ANTAGONIST AND INTERMEDIATES THEREOF ESTEVE QUÍMICA, S. A. (ES) 2007-05-10 — — WO disclosed
EP-1783117-A1 Process for the preparation of a leukotriene antagonist and intermediates thereof ESTEVE QUIMICA, S.A. (ES) 2007-05-09 — — 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-20080306270-A1 Process for the Preparation of a Leukotriene Antagonist and Intermediates Thereof LTC4S, LTB4R, CYSLTR1 CYSLTR1 3/4885CYP2C8 110/4885CYSLTR2 6/4885

“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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