SCHEMBL3103294

SCHEMBL3103294

CCc1c(C(O)=S)cccc1C(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.52
GABRG2 P18507 2/20 0.52
GABRB3 P28472 2/20 0.52
GABRB2 P47870 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.42
FAAH O00519 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TSHR P16473 1/20 0.42
GABRB1 P18505 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
HTR2B P41595 1/20 0.42
GABRA2 P47869 1/20 0.42

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
SCHEMBL14497916 0.84 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL16950670 0.83 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL8837571 0.80 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL18469082 0.80 GABRA1 (0.62) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL16956954 0.79 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL3103286 0.79 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2CYP1A2
Hydrochloric Acid SCHEMBL9419224 0.78 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL28554650 0.77 GABRA1 (0.45) GABRA1GABRB2CYP3A4LMNATSHR
SCHEMBL16952995 0.76 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2CYP1A2
SCHEMBL18091820 0.76 HTT (0.33) GABRA1GABRB2HPGDHTTALDH1A1

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
US-8410301-B2 Methods for the synthesis of organic sulfides by using sulfides and organic sulfur-indium complexes KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2013-04-02 US disclosed
US-20100234633-A1 METHODS FOR THE SYNTHESIS OF ORGANIC SULFIDES BY USING SULFIDES AND ORGANIC SULFUR-INDIUM COMPLEXES KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2010-09-16 US disclosed
WO-2009069888-A2 METHODS FOR THE SYNTHESIS OF ORGANIC SULFIDES BY USING SULFIDES AND ORGANIC SULFUR-INDIUM COMPLEXES KNU-INDUSTRY COOPERATION FOUNDATION (KR) 2009-06-04 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-20100234633-A1 METHODS FOR THE SYNTHESIS OF ORGANIC SULFIDES BY USING SULFIDES AND ORGANIC SULFUR-INDIUM COMPLEXES TST, CBS, MPST GABRA1 2196/4885GABRG2 2370/4885GABRB3 1760/4885

“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.