SCHEMBL3701417

SCHEMBL3701417

COC(=O)CC1(CCS)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
HSD17B10 Q99714 2/20 0.43
TP53 P04637 1/20 0.36
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33

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
SCHEMBL594992 0.83 TSHR (0.46) TSHRHSD17B10TP53MGAMGAA
SCHEMBL17233403 0.83 TSHR (0.46) TSHRHSD17B10TP53MGAMGAA
SCHEMBL625209 0.82 TSHR (0.44) TSHRHSD17B10TP53MGAMGAA
SCHEMBL27708516 0.80 TP53 (0.36) TSHRHSD17B10TP53MGAMGAA
Hydrochloric Acid SCHEMBL26640134 0.78 LMNA (0.38) TSHRHSD17B10TP53MGAMGAA
SCHEMBL7904913 0.77 TSHR (0.35) TSHRHSD17B10TP53MGAMGAA
SCHEMBL7904667 0.77 TSHR (0.40) TSHRHSD17B10TP53MGAMGAA
SCHEMBL13435347 0.77 TSHR (0.40) TSHRHSD17B10TP53MGAMGAA
SCHEMBL1484429 0.77 TSHR (0.40) TSHRHSD17B10TP53MGAMGAA
SCHEMBL15453370 0.77 MGAM (0.48) TSHRHSD17B10TP53MGAMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114889-B1 METHOD OF PREPARING MONTELUKAST AND INTERMEDIATES USED THEREIN HANMI SCIENCE CO LTD (KR) 2014-01-22 EP disclosed
US-8217174-B2 Method of preparing montelukast and intermediates used therein HANMI HOLDINGS CO., LTD. (KR) 2012-07-10 US disclosed
US-20100099876-A1 METHOD OF PREPARING MONTELUKAST AND INTERMEDIATES USED THEREIN HANMI PHARM. CO., LTD. (KR) 2010-04-22 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-20100099876-A1 METHOD OF PREPARING MONTELUKAST AND INTERMEDIATES USED THEREIN LTC4S, LTB4R, LTB4R2 TSHR 4179/4885HSD17B10 515/4885TP53 4582/4885

“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.