SCHEMBL2865088

SCHEMBL2865088

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
DAO P14920 1/20 0.37
PTGS1 P23219 3/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
DRD3 P35462 1/20 0.36
KMT2A Q03164 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
PTGS2 P35354 1/20 0.34
FASN P49327 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN11 Q06124 1/20 0.34
AKR1C3 P42330 4/20 0.33
AKR1C2 P52895 4/20 0.33
AKR1C1 Q04828 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
LMNA P02545 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
SCHEMBL2859068 0.87 NR1H2 (0.40) PTGS1MEN1CYP3A4DRD3KMT2A
SCHEMBL15225739 0.83 PTGS1 (0.45) LCKFYNDAOPTGS1CYP3A4
SCHEMBL2859767 0.83 LMNA (0.46) PTGS1MEN1CYP3A4DRD3KMT2A
SCHEMBL2864867 0.80 SLC5A1 (0.42) PTGS1MEN1CYP3A4DRD3KMT2A
SCHEMBL2865202 0.79 HSD17B1 (0.44) PTGS1MEN1CYP3A4DRD3KMT2A
SCHEMBL2866366 0.78 TRPA1 (0.36) PTGS1MEN1CYP3A4DRD3KMT2A
SCHEMBL2861279 0.78 AKR1C3 (0.50) PTGS1CYP3A4AKR1C3AKR1C2AKR1C1
SCHEMBL2856336 0.77 AKR1C3 (0.45) PTGS1AKR1C3AKR1C2AKR1C1
SCHEMBL5491546 0.76 SYNJ2 (0.49) PTGS1MEN1CYP3A4KMT2APTGS2
SCHEMBL2858308 0.76 SYNJ2 (0.52) PTGS1MEN1CYP3A4KMT2APTGS2

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 LCK 2993/4885FYN 2422/4885DAO 3911/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P LCK 2993/4885FYN 2422/4885DAO 3911/4885

“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.