SCHEMBL2856271

SCHEMBL2856271

CCC(C(=O)OC)c1cc(O)cc(O)c1C(=O)c1ccc(OC)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
SYNJ2 O15056 1/20 0.45
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
ACHE P22303 1/20 0.41
HRH3 Q9Y5N1 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AB1 P08238 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
CYP19A1 P11511 1/20 0.37
NR1H2 P55055 1/20 0.37

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
SCHEMBL2862742 0.90 LMNA (0.48) TAS1R3TAS1R1SYNJ2LMNAMAPK1
SCHEMBL2860149 0.90 SYNJ2 (0.51) SYNJ2MEN1GAAMAPTHPGD
SCHEMBL2861765 0.85 NR1H2 (0.41) SYNJ2HTTRAB9AMEN1GAA
SCHEMBL2861398 0.84 NR1H2 (0.44) SYNJ2LMNAACHEMEN1KMT2A
SCHEMBL2865476 0.83 CYP3A4 (0.46) SYNJ2MAPTHPGDCYP3A4CYP2D6
SCHEMBL2861256 0.82 CYP3A4 (0.44) TAS1R3TAS1R1SYNJ2LMNAHTT
SCHEMBL2865026 0.80 LDHA (0.45) SYNJ2MAPK1MEN1KMT2ACYP3A4
SCHEMBL2860488 0.80 TAS1R3 (0.44) TAS1R3TAS1R1LMNAMAPK1HTT
SCHEMBL5491546 0.80 SYNJ2 (0.49) SYNJ2MAPK1ACHEMEN1GAA
SCHEMBL2858308 0.80 SYNJ2 (0.52) SYNJ2LMNAHTTMEN1GAA

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 TAS1R3 1237/4885TAS1R1 1025/4885SYNJ2 4612/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P TAS1R3 1237/4885TAS1R1 1025/4885SYNJ2 4612/4885

“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.