SCHEMBL7686034

SCHEMBL7686034

CCCCCCCCCCCCS(=O)(=O)C#N

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.50
CA2 P00918 6/20 0.45
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
CES1 P23141 5/20 0.37
CES2 O00748 2/20 0.37

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
SCHEMBL10732310 1.00 FAAH (0.50) FAAHCA2TSHRTHRBCES1
SCHEMBL14118701 1.00 FAAH (0.50) FAAHCA2TSHRTHRBCES1
SCHEMBL7040352 0.98 FAAH (0.46) FAAHCA2TSHRCES1CES2
SCHEMBL6470367 0.90
SCHEMBL6972534 0.90
SCHEMBL7686377 0.79
SCHEMBL9851072 0.75 FAAH (0.48) FAAHCA2CES1CES2
SCHEMBL9497098 0.75 FAAH (0.42) FAAHCA2TSHRTHRB
SCHEMBL7078772 0.73 FAAH (0.46) FAAHCA2CES1CES2
SCHEMBL11347899 0.73 FAAH (0.46) FAAHCA2CES1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342606-B2 REACTING PYRIDINE ESTER DERIVATIVE WITH A REDUCING AGENT, AN ALKYLATING AGENT, AN ALKENYLATING AGENT, AN ARYLATING AGENT OR AN ARALKYLATING AGENT TO OBTAIN A PYRIDINE CARBONYL DERIVATIVE, REDUCING KURARAY CO., LTD. (JP) 2002-01-29 US disclosed
US-20010031871-A1 Method for producing pyridine derivatives KURARAY CO., LTD. (JP) 2001-10-18 US disclosed
US-6265580-B1 REACTING AMINE DERIVATIVE WITH CARBONYLATING AGENT AND NITRILE DERIVATIVE KURARAY CO., LTD. (JP) 2001-07-24 US disclosed
US-6111111-A Intermediates for producing pyridine derivatives KURARAY CO., LTD. (JP) 2000-08-29 US disclosed
EP-0911335-A2 Method for producing furopyridine derivatives and intermediate compounds KURARAY CO., LTD. (JP) 1999-04-28 EP 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-20010031871-A1 Method for producing pyridine derivatives CYP2E1, CBR1, CBR3 FAAH 1446/4885CA2 537/4885TSHR 2801/4885

“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.