SCHEMBL1361570

SCHEMBL1361570

O=C(O)C12CC3SC(C1)SC(C2)S3

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.32
CYP2C19 P33261 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM8 O00222 1/20 0.32
GRM6 O15303 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
GRM1 Q13255 2/20 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
SCHEMBL8717720 0.73
Hydrochloric Acid SCHEMBL29705738 0.71
SCHEMBL1360418 0.70 NPSR1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL18710972 0.70
SCHEMBL12714 0.69 HSD11B1 (0.48) ALDH1A1CYP2C9KDM4E
SCHEMBL19557168 0.69 HSD11B1 (0.48) ALDH1A1CYP2C9KDM4E
SCHEMBL19557166 0.69 HSD11B1 (0.48) ALDH1A1CYP2C9KDM4E
SCHEMBL5489940 0.67 HSD11B1 (0.46) ALDH1A1CYP2C9KDM4E
SCHEMBL5487136 0.67 HSD11B1 (0.46) ALDH1A1CYP2C9KDM4E
SCHEMBL4389277 0.67 HSD11B1 (0.46) ALDH1A1CYP2C9KDM4E

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005003089-A2 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS THE UNIVERSITY OF AKRON (US) 2005-01-13 WO claimed
US-8066914-B2 7-ethynyl-2,4,9-trithiaadamantane and related methods UNIVERSITY OF AKRON (US) 2011-11-29 US disclosed
US-8066914-B2 7-ethynyl-2,4,9-trithiaadamantane and related methods UNIVERSITY OF AKRON (US) 2011-11-29 US disclosed
US-8066914-B2 7-ethynyl-2,4,9-trithiaadamantane and related methods UNIVERSITY OF AKRON (US) 2011-11-29 US disclosed
US-7777476-B2 Dynamic modulation for multiplexation of microfluidic and nanofluidic based biosensors THE UNIVERSITY OF AKRON (US) 2010-08-17 US disclosed
US-7777476-B2 Dynamic modulation for multiplexation of microfluidic and nanofluidic based biosensors THE UNIVERSITY OF AKRON (US) 2010-08-17 US disclosed
US-20100072425-A1 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS THE UNIVERSITY OF AKRON (US) 2010-03-25 US disclosed
US-20100072425-A1 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS THE UNIVERSITY OF AKRON (US) 2010-03-25 US disclosed
US-20100072425-A1 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS THE UNIVERSITY OF AKRON (US) 2010-03-25 US disclosed
US-20090066315-A1 DYNAMIC MODULATION FOR MULTIPLEXATION OF MICROFLUIDIC AND NANOFLUIDIC BASED BIOSENSORS THE UNIVERSITY OF AKRON (US) 2009-03-12 US disclosed
US-7348441-B2 Methyl 2,4,9-trithiaadamantane-7-carboxylate THE UNIVERSITY OF AKRON (US) 2008-03-25 US disclosed
WO-2005120186-A3 METHYL 2,4,9-TRITHIAADAMANTANE-7-CARBOXYLATE UNIV AKRON (US) 2007-08-16 WO disclosed
US-20070173650-A1 Methyl 2,4,9-trithiaadamantane-7-carboxylate UNIVERSITY OF AKRON 2007-07-26 US disclosed
EP-1740592-A2 METHYL 2,4,9-TRITHIAADAMANTANE-7-CARBOXYLATE THE UNIVERSITY OF AKRON (US) 2007-01-10 EP disclosed
EP-1740592-A2 METHYL 2,4,9-TRITHIAADAMANTANE-7-CARBOXYLATE THE UNIVERSITY OF AKRON (US) 2007-01-10 EP disclosed
WO-2005120186-A2 METHYL 2,4,9-TRITHIAADAMANTANE-7-CARBOXYLATE THE UNIVERSITY OF AKRON (US) 2005-12-22 WO disclosed
WO-2005120186-A2 METHYL 2,4,9-TRITHIAADAMANTANE-7-CARBOXYLATE THE UNIVERSITY OF AKRON (US) 2005-12-22 WO disclosed
WO-2005003089-A3 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS UNIV AKRON (US) 2005-09-29 WO disclosed
WO-2005003089-A2 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS THE UNIVERSITY OF AKRON (US) 2005-01-13 WO disclosed
WO-2005003089-A2 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS THE UNIVERSITY OF AKRON (US) 2005-01-13 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 (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-20100072425-A1 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS ALKBH2, AOX1, TET1 GRM4 1088/4885CYP2C19 1550/4885ALDH1A1 12/4885
US-20070173650-A1 Methyl 2,4,9-trithiaadamantane-7-carboxylate TST, TPMT, MGMT GRM4 235/4885CYP2C19 3515/4885ALDH1A1 182/4885

“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.