SCHEMBL5855174

SCHEMBL5855174

CCOC(=O)C(CCCCS)CC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.53
FOLH1 Q04609 4/20 0.47
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR84 Q9NQS5 4/20 0.37
MMP2 P08253 6/20 0.35
MMP3 P08254 5/20 0.35
MMP1 P03956 3/20 0.35
MMP7 P09237 1/20 0.35
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL29014239 0.86 GPR84 (0.52) CPB2GPR84MMP2MMP3MMP1
SCHEMBL27622663 0.84 GPR84 (0.55) CPB2GPR84MMP2MMP3MMP1
SCHEMBL2643540 0.84 GPR84 (0.55) CPB2GPR84MMP2MMP3MMP1
SCHEMBL481493 0.84 GPR84 (0.55) CPB2GPR84MMP2MMP3MMP1
SCHEMBL8361445 0.84 CPB2 (0.46) CPB2FOLH1MEN1NPC1KMT2A
SCHEMBL2880166 0.84 CPB2 (0.72) CPB2FOLH1MEN1NPC1KMT2A
SCHEMBL2706849 0.82 CPB2 (0.44) CPB2FOLH1MEN1NPC1KMT2A
SCHEMBL27513220 0.81 CPB2 (0.42) CPB2FOLH1MEN1NPC1KMT2A
SCHEMBL28218803 0.80 HDAC1 (0.48) CPB2FOLH1MEN1NPC1KMT2A
SCHEMBL2875679 0.78 CPB2 (0.69) CPB2FOLH1MEN1NPC1KMT2A

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-7074819-B2 Benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-07-11 US disclosed
US-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA 2004-05-27 US disclosed
US-6645951-B1 Antiestrogens for treating breast cancer CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-11-11 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-20040102479-A1 Novel benzopyran or thiobenzopyran derivatives NR5A1, SHBG, ESR2 CPB2 2619/4885FOLH1 2512/4885MEN1 3858/4885

“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.