SCHEMBL2859068

SCHEMBL2859068

CCC(C(=O)OC)c1cc(O)cc(O)c1C(=O)c1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CYP3A4 P08684 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SYNJ2 O15056 1/20 0.34
ACHE P22303 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MEN1 O00255 1/20 0.33
PTGS1 P23219 1/20 0.33
DRD3 P35462 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.33
HDAC1 Q13547 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
DPP4 P27487 1/20 0.32

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
SCHEMBL2865088 0.87 LCK (0.37) NR1H2NR1H3CYP3A4MEN1PTGS1
SCHEMBL2861398 0.84 NR1H2 (0.44) NR1H2NR1H3CYP3A4SMN1; SMN2TDP1
SCHEMBL2861765 0.81 NR1H2 (0.41) NR1H2NR1H3CYP3A4SMN1; SMN2TDP1
SCHEMBL2865476 0.81 CYP3A4 (0.46) NR1H2NR1H3CYP3A4SYNJ2PTGS1
SCHEMBL2861256 0.80 CYP3A4 (0.44) NR1H2NR1H3CYP3A4SMN1; SMN2TDP1
SCHEMBL2862982 0.79 NR1H2 (0.40) NR1H2NR1H3CYP3A4SMN1; SMN2TDP1
SCHEMBL2860149 0.79 SYNJ2 (0.51) NR1H2NR1H3CYP3A4SYNJ2MEN1
SCHEMBL2860488 0.78 TAS1R3 (0.44) CYP3A4SMN1; SMN2TAS1R3TAS1R1ESR1
SCHEMBL2865026 0.78 LDHA (0.45) NR1H2NR1H3CYP3A4SMN1; SMN2TDP1
SCHEMBL2861697 0.76 TRPV1 (0.42) NR1H2NR1H3CYP3A4SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 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 (2 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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P NR1H2 1484/4885NR1H3 1839/4885CYP3A4 2051/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P NR1H2 1484/4885NR1H3 1839/4885CYP3A4 2051/4885

“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.