SCHEMBL2864867

SCHEMBL2864867

CCC(C(=O)O)c1cc(O)cc(O)c1C(=O)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 2/20 0.42
SLC5A2 P31639 2/20 0.42
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
AKR1C3 P42330 4/20 0.39
AKR1C2 P52895 4/20 0.39
PTGS1 P23219 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
DRD3 P35462 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FASN P49327 1/20 0.36
PTPN1 P18031 1/20 0.35
PTPN11 Q06124 1/20 0.35
SYNJ2 O15056 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL2859767 0.91 LMNA (0.46) SLC5A1SLC5A2GAAMAPTAKR1C3
SCHEMBL2856336 0.86 AKR1C3 (0.45) AKR1C3AKR1C2PTGS1
SCHEMBL2861765 0.86 NR1H2 (0.41) SLC5A1SLC5A2NPC1GAAMAPT
SCHEMBL2861279 0.85 AKR1C3 (0.50) SLC5A1SLC5A2AKR1C3AKR1C2PTGS1
SCHEMBL2860050 0.83 PPARG (0.44) AKR1C3AKR1C2PTGS1
SCHEMBL2865202 0.83 HSD17B1 (0.44) GAAAKR1C3AKR1C2PTGS1MEN1
SCHEMBL2862742 0.82 LMNA (0.48) GAAMAPTRAB9AAKR1C3AKR1C2
SCHEMBL5491546 0.80 SYNJ2 (0.49) GAAMAPTPTGS1MEN1CYP3A4
SCHEMBL2858308 0.80 SYNJ2 (0.52) GAAMAPTAKR1C3AKR1C2PTGS1
SCHEMBL2866366 0.80 TRPA1 (0.36) AKR1C3AKR1C2PTGS1MEN1CYP3A4

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 SLC5A1 3045/4885SLC5A2 3931/4885NPC1 1079/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P SLC5A1 3045/4885SLC5A2 3931/4885NPC1 1079/4885

“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.