SCHEMBL1977310

SCHEMBL1977310

CC(=O)SC(C)C(C)C(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HCAR2 Q8TDS4 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
SCHEMBL1970742 0.80 SMN1; SMN2 (0.38) TSHR
SCHEMBL819540 0.77 ALDH1A1 (0.41) TSHR
SCHEMBL28965299 0.75 TSHR (0.53) TSHRHCAR2
SCHEMBL11490831 0.75 TSHR (0.31) TSHR
SCHEMBL17938008 0.72 TP53 (0.36) TSHR
SCHEMBL5549439 0.72 TP53 (0.36) TSHR
SCHEMBL9999821 0.71 TSHR (0.48) TSHRHCAR2
SCHEMBL682227 0.71 TSHR (0.48) TSHRHCAR2
SCHEMBL5077477 0.71 TSHR (0.48) TSHRHCAR2
SCHEMBL28033169 0.70 LMNA (0.33) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334201-B1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAKASAGO PERFUMERY CO LTD (JP) 2016-07-27 EP disclosed
US-8445051-B2 Thiol-containing fragrance and flavor materials TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-21 US disclosed
US-20110256071-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-10-20 US disclosed
CN-102176838-A Thiol-containing fragrances and flavorings TAKASAGO PERFUMERY CO LTD 2011-09-07 CN disclosed
EP-2334201-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS Takasago International Corporation (JP) 2011-06-22 EP disclosed
WO-2010042938-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAKASAGO INTERNATIONAL CORPORATION (JP) 2010-04-15 WO 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-20110256071-A1 THIOL-CONTAINING FRAGRANCE AND FLAVOR MATERIALS TAS1R1, TAS2R1, TAS2R5 TSHR 2813/4885HCAR2 2309/4885

“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.