SCHEMBL9949923

SCHEMBL9949923

CC(=O)OC(C)(CS)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
GAA P10253 1/20 0.38
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL9609264 0.74 LMNA (0.37) LMNACYP3A4ALOX15GAAHSD17B10
SCHEMBL9609262 0.73 LMNA (0.36) LMNACYP3A4ALOX15GAAHSD17B10
SCHEMBL14037713 0.72 GAA (0.39) LMNACYP3A4ALOX15GAAHSD17B10
SCHEMBL9433422 0.68 CYP2C19 (0.40) LMNACYP2C19HSD17B10
SCHEMBL15472985 0.67 EPHX1 (0.40) LMNACYP3A4ALOX15GAA
SCHEMBL25840121 0.66 GAA (0.33) GAA
SCHEMBL1773678 0.65 GAA (0.34) LMNACYP3A4ALOX15GAA
SCHEMBL11965894 0.65 TSHR (0.39) HSD17B10
SCHEMBL16807393 0.64 ALDH1A1 (0.36)
SCHEMBL3846321 0.64 GAA (0.33) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474535-B1 SYNTHETIC METHOD OF MONTELUKAST SODIUM INTERMEDIATE SHANDONG NEW TIME PHARMACEUTICAL CO LTD (CN) 2014-07-02 EP disclosed
US-8569508-B2 Synthetic method for montelukast sodium intermediate SHANDONG NEW TIME PHARMACEUTICAL CO., LTD. (CN) 2013-10-29 US disclosed
EP-2474535-A1 SYNTHETIC METHOD OF MONTELUKAST SODIUM INTERMEDIATE Shandong New Time Pharmaceutical Co., Ltd. (CN) 2012-07-11 EP disclosed
US-20120165535-A1 SYNTHETIC METHOD FOR MONTELUKAST SODIUM INTERMEDIATE SHANDONG NEW TIME PHARMACEUTICAL CO. LTD. (CN) 2012-06-28 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 (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-20120165535-A1 SYNTHETIC METHOD FOR MONTELUKAST SODIUM INTERMEDIATE LTC4S, CMA1, PTGIS LMNA 2098/4885CYP3A4 268/4885ALOX15 2010/4885

“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.