SCHEMBL19981400

SCHEMBL19981400

CCOC(=O)/C=C/C(=O)Nc1nc(C(=O)OC)c(-c2ccccc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.53
ALDH1A1 P00352 8/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 6/20 0.49
NPSR1 Q6W5P4 4/20 0.49
GSTO1 P78417 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 5/20 0.48
HTT P42858 3/20 0.48
MDM2 Q00987 1/20 0.48
THRB P10828 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
AURKA O14965 1/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45

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
SCHEMBL23647317 0.91 LMNA (0.50) GAAALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL19981501 0.89 LMNA (0.48) ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E
SCHEMBL19981509 0.87 ALDH1A1 (0.55) GAAALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL19981496 0.85 LMNA (0.50) ALDH1A1HPGDHSD17B10SMN1; SMN2KDM4E
SCHEMBL23657120 0.82 GAA (0.50) GAAALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL4870668 0.78 GAA (0.65) GAAALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL19981420 0.76 PARP1 (0.64) ALDH1A1HPGDSMN1; SMN2KDM4ELMNA
SCHEMBL19272762 0.76 GSTO1 (0.60) ALDH1A1HPGDLMNANPSR1GSTO1
SCHEMBL19981570 0.75 NPC1 (0.69) GAAALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL30271559 0.75 NPC1 (0.69) GAAALDH1A1SMN1; SMN2KDM4ELMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2023-03-07 US disclosed
US-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2023-03-07 US disclosed
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2021-07-22 US disclosed
WO-2018050656-A2 INHIBITORS OF HEAT SHOCK FACTORS AND USES THEREOF HSF PHARMACEUTICALS (CH) 2018-03-22 WO 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-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 GAA 1290/4885ALDH1A1 2641/4885HPGD 795/4885
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 GAA 1290/4885ALDH1A1 2641/4885HPGD 795/4885

“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.