SCHEMBL7042846

SCHEMBL7042846

CCOC(=O)C(=O)c1cc(Cl)sc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.50
DAO P14920 1/20 0.50
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR35 Q9HC97 3/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
ABCB1 P08183 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
PTPN1 P18031 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL8630782 0.83 DAO (0.53) GSK3BDAOMAPTHPGDKDM4E
SCHEMBL18070606 0.75 PTPN1 (0.37) MAPTHPGDKDM4EL3MBTL1RAB9A
SCHEMBL1182967 0.73 DAO (0.50) GSK3BDAOMAPTL3MBTL1SMN1; SMN2
SCHEMBL10512352 0.73 GSK3B (0.69) GSK3BDAOMAPTHPGDKDM4E
SCHEMBL7042370 0.72 GPR35 (0.38) MAPTHPGDKDM4EL3MBTL1RAB9A
SCHEMBL8630776 0.72 GAA (0.49) MAPTHPGDKDM4EL3MBTL1RAB9A
SCHEMBL2039904 0.72 SMN1; SMN2 (0.39) MAPTKDM4EL3MBTL1SMN1; SMN2MAPK1
SCHEMBL7045285 0.72 DAO (0.69) GSK3BDAOMAPTHPGDKDM4E
SCHEMBL18069895 0.71 DHODH (0.38) MAPTL3MBTL1GPR35MAPK1HTT
SCHEMBL7039134 0.71 ALDH1A1 (0.50) GSK3BDAOHPGDKDM4EL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613786-B2 Treating urinary incontinence, asthma, irritable bowel syndrome or male erectile dysfunction BRISTOL-MYERS SQUIBB COMPANY 2003-09-02 US disclosed
US-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants HEWAWASAM PIYASENA (US) 2003-07-31 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-20030144333-A1 Thiophenyl triazol-3-one derivatives as smooth muscle relaxants PDE3A, ADRB2, ADRB3 GSK3B 3398/4885DAO 3738/4885MAPT 1238/4885

“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.