SCHEMBL4397553

SCHEMBL4397553

CC(=S)Oc1c(C)cccc1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.75
ALDH1A1 P00352 5/20 0.75
HSD17B10 Q99714 5/20 0.75
HPGD P15428 4/20 0.75
MAPK1 P28482 1/20 0.51
MYC P01106 2/20 0.46
CYP2C9 P11712 3/20 0.44
CYP3A4 P08684 2/20 0.44
KMT2A Q03164 2/20 0.44
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
NAPRT Q6XQN6 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ESR1 P03372 1/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
HMGB1 P09429 1/20 0.43
TSHR P16473 1/20 0.43
GGT1 P19440 1/20 0.43
BLM P54132 1/20 0.43

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
SCHEMBL29760302 0.86 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL1315833 0.86 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL28317244 0.80 ALDH1A1 (0.71) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL8415463 0.80 KDM4E (0.71) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL30675634 0.80 ALDH1A1 (0.70) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL305252 0.80 ALDH1A1 (0.70) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL4399839 0.79 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL10420497 0.79 KDM4E (0.84) KDM4EALDH1A1HSD17B10HPGDMAPK1
Bicarbonate SCHEMBL4612198 0.78 ALDH1A1 (0.68) KDM4EALDH1A1HSD17B10HPGDMAPK1
SCHEMBL9183165 0.78 ALDH1A1 (0.68) KDM4EALDH1A1HSD17B10HPGDMAPK1

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-7572907-B2 Methods and compounds for polynucleotide synthesis AGILENT TECHNOLOGIES, INC. (US) 2009-08-11 US disclosed
EP-1717242-A1 Polynucleotide synthesis Agilent Technologies, Inc. (US) 2006-11-02 EP disclosed
US-20060247430-A1 Methods and compounds for polynucleotide synthesis AGILENT TECHNOLOGIES, INC. 2006-11-02 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-20060247430-A1 Methods and compounds for polynucleotide synthesis POLN, POLRMT, POLM KDM4E 4662/4885ALDH1A1 3888/4885HSD17B10 2662/4885

“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.