SCHEMBL2861765

SCHEMBL2861765

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
GAA P10253 1/20 0.41
SLC5A1 P13866 2/20 0.39
SLC5A2 P31639 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
SYNJ2 O15056 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2861398 0.91 NR1H2 (0.44) NR1H2NR1H3SMN1; SMN2TDP1CYP3A4
SCHEMBL2865476 0.88 CYP3A4 (0.46) NR1H2NR1H3MAPTSLC5A1SLC5A2
SCHEMBL2865026 0.87 LDHA (0.45) NR1H2NR1H3SMN1; SMN2TDP1CYP3A4
SCHEMBL2864867 0.86 SLC5A1 (0.42) NPC1MAPTRAB9AGAASLC5A1
SCHEMBL2861697 0.85 TRPV1 (0.42) NR1H2NR1H3NPC1RAB9AGAA
SCHEMBL2856271 0.85 TAS1R3 (0.46) NR1H2NR1H3MAPTRAB9AGAA
SCHEMBL2861256 0.84 CYP3A4 (0.44) NR1H2NR1H3MAPTGAASMN1; SMN2
SCHEMBL2860149 0.83 SYNJ2 (0.51) NR1H2NR1H3MAPTGAACYP3A4
SCHEMBL2859068 0.81 NR1H2 (0.40) NR1H2NR1H3SLC5A1SLC5A2SMN1; SMN2
SCHEMBL2862982 0.81 NR1H2 (0.40) NR1H2NR1H3MAPTSLC5A1SLC5A2

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 1839/4885NPC1 1079/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P NR1H2 1484/4885NR1H3 1839/4885NPC1 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.