SCHEMBL2865202

SCHEMBL2865202

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 4/20 0.44
CLK1 P49759 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
SYNJ2 O15056 1/20 0.40
CYP3A4 P08684 5/20 0.39
ACHE P22303 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B2 P37059 2/20 0.38
CYP2B6 P20813 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
HTT P42858 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
SCHEMBL2859767 0.87 LMNA (0.46) SYNJ2CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL2861256 0.86 CYP3A4 (0.44) HSD17B1CLK1DYRK1ADYRK1BSYNJ2
SCHEMBL2858308 0.84 SYNJ2 (0.52) SYNJ2CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2864867 0.83 SLC5A1 (0.42) HSD17B1SYNJ2CYP3A4HSD17B2MEN1
SCHEMBL5491546 0.81 SYNJ2 (0.49) SYNJ2CYP3A4ACHECYP1A2CYP2C9
SCHEMBL2861279 0.81 AKR1C3 (0.50) SYNJ2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL2856336 0.80 AKR1C3 (0.45) AKR1C3AKR1C2AKR1B10AKR1C4AKR1C1
SCHEMBL2862742 0.79 LMNA (0.48) SYNJ2ACHESMN1; SMN2MEN1KMT2A
SCHEMBL2866366 0.79 TRPA1 (0.36) CYP3A4ACHEMEN1KMT2ALMNA
SCHEMBL2865088 0.79 LCK (0.37) CYP3A4MEN1KMT2ALMNANR1H2

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 HSD17B1 1112/4885CLK1 2716/4885DYRK1A 2348/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P HSD17B1 1112/4885CLK1 2716/4885DYRK1A 2348/4885

“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.