SCHEMBL118178

SCHEMBL118178

[CH2]CCSCCNC(=O)C=C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
PYGL P06737 1/20 0.36
TGM2 P21980 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL22861299 0.92 ALDH1A1 (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL11315832 0.81 ZDHHC20 (0.50) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL8017853 0.81 ZDHHC20 (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL8014476 0.80 ZDHHC20 (0.53) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL22861295 0.80 TSHR (0.46) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL8014861 0.79 ZDHHC20 (0.62) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL106883 0.79 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL252047 0.78
SCHEMBL9069372 0.78 ZDHHC20 (0.66) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL31224580 0.77 TSHR (0.52) TSHRALDH1A1MAPK1TDP1ZDHHC20

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-20120100097-A1 CELLULOSE SUPPORT CONTAINING D-MANNOSE DERIVATIVES AHLSTROM CORPORATION (FI) 2012-04-26 US disclosed
EP-2424487-A2 CELLULOSE SUPPORT CONTAINING D-MANNOSE DERIVATIVES Ahlstrom Corporation (FI) 2012-03-07 EP disclosed
WO-2010125239-A2 CELLULOSE SUPPORT CONTAINING D-MANNOSE DERIVATIVES AHLSTROM CORPORATION (FI) 2010-11-04 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 (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-20120100097-A1 CELLULOSE SUPPORT CONTAINING D-MANNOSE DERIVATIVES ALG1, CHIT1, MAN2A1 TSHR 3945/4885ALDH1A1 1034/4885MAPK1 264/4885

“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.