SCHEMBL1704288

SCHEMBL1704288

CCCC(SC(CCC)C(C)C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
CYP3A4 P08684 2/20 0.36
NFKB1 P19838 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CA1 P00915 1/20 0.31

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
SCHEMBL24809674 0.88 TSHR (0.32) TSHR
SCHEMBL24658842 0.80
SCHEMBL26728540 0.75 TSHR (0.31) TSHR
SCHEMBL22326903 0.75 TSHR (0.31) TSHR
SCHEMBL777860 0.73 TSHR (0.33) TSHR
SCHEMBL21017311 0.69 TSHR (0.31) TSHR
SCHEMBL777162 0.67 TSHR (0.38) TSHR
SCHEMBL8596831 0.67
SCHEMBL30087287 0.67 TSHR (0.35) TSHRCYP3A4NFKB1NPSR1
Hydrochloric Acid SCHEMBL8586868 0.65

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
US-20120136175-A1 PROCESS FOR PREPARATION OF ALKYL SULFONE COMPOUNDS SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2012-05-31 US disclosed
EP-2441751-A1 PROCESS FOR PREPARATION OF ALKYL SULFONE COMPOUNDS Sumitomo Seika Chemicals CO. LTD. (JP) 2012-04-18 EP disclosed
EP-0938529-B1 SULFUR REMOVAL BY CATALYTIC DISTILLATION BP CORP NORTH AMERICA INC (US) 2004-11-03 EP disclosed
EP-0902822-B1 SULFUR REMOVAL PROCESS BP CORP NORTH AMERICA INC (US) 2003-07-09 EP disclosed
US-6048451-A CONVERTING AT LEAST A PORTION OF THE SULFUR-CONTAINING IMPURITIES TO SULFUR-CONTAINING PRODUCTS OF HIGHER BOILING POINT BY TREATMENT WITH AN ALKYLATING AGENT IN THE PRESENCE OF AN ACID CATALYST; FRACTIONAL DISTILLATION BP AMOCO CORPORATION (US) 2000-04-11 US disclosed
US-5863419-A Sulfur removal by catalytic distillation AMOCO CORPORATION (US) 1999-01-26 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-20120136175-A1 PROCESS FOR PREPARATION OF ALKYL SULFONE COMPOUNDS SULT1A1, CBR1, SULT1E1 TSHR 1331/4885CYP3A4 137/4885NFKB1 1283/4885

“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.