SCHEMBL6545293

SCHEMBL6545293

O=[C]OC(=S)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.39
MAPT P10636 4/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
F2 P00734 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 4/20 0.39
TSHR P16473 3/20 0.39
CES2 O00748 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.36
CA2 P00918 2/20 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
SCHEMBL28100280 0.79 POLB (0.39) CES1MAPTCYP3A4TDP1MEN1
SCHEMBL229639 0.74 LMNA (0.58) CES1MAPTTDP1KMT2AMAPK1
SCHEMBL1542178 0.73 F2 (0.39) CES1MAPTCYP3A4TDP1MEN1
SCHEMBL18831925 0.73 TSHR (0.46) CES1MAPTCYP3A4TDP1KMT2A
SCHEMBL489956 0.72 MAPT (0.44) CES1MAPTCYP3A4TDP1MEN1
SCHEMBL5592713 0.71 CES2 (0.54) CES1MAPTF2LMNAALDH1A1
SCHEMBL28648121 0.70 ALDH1A1 (0.42) CES1MAPTCYP3A4TDP1MEN1
SCHEMBL28786233 0.69 MAPT (0.41) CES1MAPTCYP3A4TDP1MEN1
SCHEMBL812710 0.69 TSHR (0.52) CES1MAPTCYP3A4TDP1MEN1
SCHEMBL302163 0.69 ALDH1A1 (0.43) CES1MAPTCYP3A4TDP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4650868-A 7-deazapurine derivatives useful as antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-03-17 US claimed
US-6696500-B2 BIOACTIVE SUBSTANCE HAVING ACIDIC GROUP AND A BIODEGRADABLE POLYMER HAVING AN OPTIONALLY PROTECTED BASIC GROUP, SUCH AS A POLYLACTONE THAT HAS BEEN ESTERIFIED, AMIDATED, OR THIOESTERIFIED WITH A COMPOUND HAVING CYCLIC AMINO GROUPS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-24 US disclosed
EP-0815853-B1 Sustained-release preparation for bioactive substance having an acidic group TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-01-21 EP disclosed
US-20010038854-A1 Sustained-release preparation TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2001-11-08 US disclosed
US-6264970-B1 BIODEGRADABLE POLYMER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-0815853-A2 Sustained-release preparation for bioactive substance having an acidic group TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-01-07 EP disclosed
US-4650868-A 7-deazapurine derivatives useful as antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-03-17 US disclosed
EP-0160910-A2 7-Deazapurine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1985-11-13 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-20010038854-A1 Sustained-release preparation BMP2, PGF, AREG CES1 2072/4885MAPT 4028/4885CYP3A4 4030/4885

“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.