SCHEMBL564627

SCHEMBL564627

CCCCCN(CCCCC)S[C]=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 3/20 0.39
MGLL Q99685 1/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 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
SCHEMBL4190076 0.98 DNM1 (0.42) DNM1MGLLTSHRTHRBS1PR2
SCHEMBL4438505 0.96 DNM1 (0.36) DNM1MGLLTSHR
SCHEMBL2308384 0.96 DNM1 (0.41) DNM1MGLLTSHRTHRBS1PR2
SCHEMBL7497954 0.91 DNM1 (0.36) DNM1MGLL
SCHEMBL4203223 0.88 ALDH1A1 (0.31) TSHRCA12CA1CA9
SCHEMBL7803023 0.84 CA12 (0.33) MGLLCA12CA1CA9
SCHEMBL9208998 0.82 TSHR (0.36) TSHRCA1
SCHEMBL4199252 0.79 DNM1 (0.42) DNM1MGLLTSHRTHRBS1PR2
SCHEMBL7687639 0.77 DNM1 (0.36) DNM1MGLL
SCHEMBL9204443 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035170-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES NUNEZ JOSE MARIA (ES) 2012-02-09 US claimed
JP-4823221-B2 2011-11-24 JP claimed
EP-1761545-A2 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-14 EP claimed
WO-2006000555-A2 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 WO claimed
EP-0701553-B1 ARYLPYRAZOLE FUNGICIDES RHONE POULENC AGROCHIMIE (FR) 1997-10-01 EP claimed
EP-0769905-A1 FUNGICIDAL COMPOSITIONS CONTAINING 3-PHENYL-PYRAZOLE DERIVATIVES FOR TREATING PROPAGATIVE PLANT STOCK, NOVEL 3-PHENYL-PYRAZOLE DERIVATIVES, AND FUNGICIDAL USES THEREOF RHONE-POULENC AGROCHIMIE (FR) 1997-05-02 EP claimed
EP-0701553-A1 ARYLPYRAZOLE FUNGICIDES RHONE POULENC AGROCHIMIE (FR) 1996-03-20 EP claimed
WO-1996002138-A1 FUNGICIDAL COMPOSITIONS CONTAINING 3-PHENYL-PYRAZOLE DERIVATIVES FOR TREATING PROPAGATIVE PLANT STOCK, NOVEL 3-PHENYL-PYRAZOLE DERIVATIVES, AND FUNGICIDAL USES THEREOF RHONE POULENC AGROCHIMIE (FR) 1996-02-01 WO claimed
WO-1994029276-A1 ARYLPYRAZOLE FUNGICIDES RHONE POULENC AGROCHIMIE (FR) 1994-12-22 WO claimed
US-20120238563-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CID-NUNEZ JOSE MARIA (ES) 2012-09-20 US disclosed
US-20120035170-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES NUNEZ JOSE MARIA (ES) 2012-02-09 US disclosed
EP-1761545-A2 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-03-14 EP disclosed
WO-2006000555-A2 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 WO disclosed
US-5945382-A AND A METHOD OF THEIR PREPARATION BY CHLORINATION OF AN INTERMEDIATE ARYLPYRAZOLE; PROTECTION AGAINST FUNGAL DISEASES IN TOMATO, RICE, AND WHEAT PLANTS RHONE-POULENC AGROCHIMIE (FR) 1999-08-31 US disclosed
EP-0769905-A1 FUNGICIDAL COMPOSITIONS CONTAINING 3-PHENYL-PYRAZOLE DERIVATIVES FOR TREATING PROPAGATIVE PLANT STOCK, NOVEL 3-PHENYL-PYRAZOLE DERIVATIVES, AND FUNGICIDAL USES THEREOF RHONE-POULENC AGROCHIMIE (FR) 1997-05-02 EP disclosed
EP-0701553-A1 ARYLPYRAZOLE FUNGICIDES RHONE POULENC AGROCHIMIE (FR) 1996-03-20 EP disclosed
WO-1996002138-A1 FUNGICIDAL COMPOSITIONS CONTAINING 3-PHENYL-PYRAZOLE DERIVATIVES FOR TREATING PROPAGATIVE PLANT STOCK, NOVEL 3-PHENYL-PYRAZOLE DERIVATIVES, AND FUNGICIDAL USES THEREOF RHONE POULENC AGROCHIMIE (FR) 1996-02-01 WO disclosed
EP-0638070-A1 FUNGICIDAL ARYLPYRAZOLES RHONE-POULENC AGROCHIMIE (FR) 1995-02-15 EP disclosed
WO-1994029276-A1 ARYLPYRAZOLE FUNGICIDES RHONE POULENC AGROCHIMIE (FR) 1994-12-22 WO disclosed
WO-1993022287-A1 FUNGICIDAL ARYLPYRAZOLES RHONE POULENC AGROCHIMIE (FR) 1993-11-11 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-20120035170-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES HTR2C, HTR2A, HTR1A DNM1 2115/4885MGLL 2000/4885TSHR 499/4885
US-20120238563-A1 NOVEL UNSATURATED TETRACYCLIC TETRAHYDROFURAN DERIVATIVES HTR2C, HTR2A, HTR1A DNM1 2115/4885MGLL 2000/4885TSHR 499/4885

“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.