SCHEMBL528624

SCHEMBL528624

COC(=O)CC1CC1CS

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
HSD17B10 Q99714 2/20 0.44
BRD4 O60885 1/20 0.36
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
EGFR P00533 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL5638542 0.89 TSHR (0.46) TSHRHSD17B10BRD4GAAMGAM
SCHEMBL14499820 0.89 TSHR (0.46) TSHRHSD17B10BRD4GAAMGAM
SCHEMBL5638546 0.89 TSHR (0.46) TSHRHSD17B10BRD4GAAMGAM
SCHEMBL18257698 0.81 TSHR (0.39) TSHRHSD17B10BRD4GAAMGAM
SCHEMBL5639358 0.81 SLC6A12 (0.46) TSHRHSD17B10BRD4GAAMGAM
SCHEMBL5639352 0.81 SLC6A12 (0.46) TSHRHSD17B10BRD4GAAMGAM
SCHEMBL14499819 0.81 SLC6A12 (0.46) TSHRHSD17B10BRD4GAAMGAM
SCHEMBL12674588 0.78 ALOX5 (0.38) TSHRHSD17B10BRD4GAAMGAM
SCHEMBL5640893 0.78 TSHR (0.36) TSHRHSD17B10BRD4GAAMGAM
SCHEMBL5640897 0.78 TSHR (0.36) TSHRHSD17B10BRD4GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598485-B1 NOVEL MONTELUKAST 4-HALOBENZYLAMINE SALT AND METHOD FOR PREPARING MONTELUKAST SODIUM SALT BY USING THE SAME DONG KOOK PHARM CO LTD (KR) 2015-04-22 EP disclosed
US-20130184464-A1 NOVEL MONTELUKAST 4-HALOBENZYLAMINE SALT AND METHOD FOR PREPARING MONTELUKAST SODIUM SALT BY USING THE SAME DONG KOOK PHARM. CO., LTD. (KR) 2013-07-18 US disclosed
US-20130184464-A1 NOVEL MONTELUKAST 4-HALOBENZYLAMINE SALT AND METHOD FOR PREPARING MONTELUKAST SODIUM SALT BY USING THE SAME DONG KOOK PHARM. CO., LTD. (KR) 2013-07-18 US disclosed
US-20130184464-A1 NOVEL MONTELUKAST 4-HALOBENZYLAMINE SALT AND METHOD FOR PREPARING MONTELUKAST SODIUM SALT BY USING THE SAME DONG KOOK PHARM. CO., LTD. (KR) 2013-07-18 US disclosed
EP-2598485-A2 NOVEL MONTELUKAST 4-HALOBENZYLAMINE SALT AND METHOD FOR PREPARING MONTELUKAST SODIUM SALT BY USING THE SAME DONG KOOK PHARMACEUTICAL CO., LTD. (KR) 2013-06-05 EP disclosed
WO-2012015255-A2 NOVEL MONTELUKAST 4-HALOBENZYLAMINE SALT AND METHOD FOR PREPARING MONTELUKAST SODIUM SALT BY USING THE SAME DONG KOOK PHARM. CO., LTD (KR) 2012-02-02 WO disclosed
US-20080214822-A1 Process For the Preparation of a Leukotriene Antagonist MEDICHEM, S.A. (ES) 2008-09-04 US disclosed
US-20080214822-A1 Process For the Preparation of a Leukotriene Antagonist MEDICHEM, S.A. (ES) 2008-09-04 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-20080214822-A1 Process For the Preparation of a Leukotriene Antagonist LTB4R2, LTC4S, LTB4R TSHR 3701/4885HSD17B10 526/4885BRD4 4471/4885
US-20130184464-A1 NOVEL MONTELUKAST 4-HALOBENZYLAMINE SALT AND METHOD FOR PREPARING MONTELUKAST SODIUM SALT BY USING THE SAME HRH4, TST, HCLS1 TSHR 3007/4885HSD17B10 483/4885BRD4 126/4885

“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.