SCHEMBL58052

SCHEMBL58052

CN[C@H](C(=O)N[C@H](C(=O)N(C)C(C)/C=C(\C)C(=O)O)C(C)(C)C)C(C)(C)c1cn(C)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.51
GLA P06280 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NR4A2 P43354 1/20 0.31
POLB P06746 1/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
STAT6 P42226 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL13847534 1.00 TUBB1 (0.51) TUBB1GLAALDH1A1SMN1; SMN2NR4A2
SCHEMBL57969 1.00 TUBB1 (0.51) TUBB1GLAALDH1A1SMN1; SMN2NR4A2
Hemiasterlin SCHEMBL13203800 0.92 TUBB1 (0.61) TUBB1GLAALDH1A1SMN1; SMN2NR4A2
Hemiasterlin SCHEMBL22692376 0.92 TUBB1 (0.61) TUBB1GLAALDH1A1SMN1; SMN2NR4A2
Hemiasterlin SCHEMBL57334 0.92 TUBB1 (0.61) TUBB1GLAALDH1A1SMN1; SMN2NR4A2
SCHEMBL13681894 0.92 TUBB1 (0.42) TUBB1GLAALDH1A1SMN1; SMN2POLB
Hemiasterlin SCHEMBL57313 0.92 TUBB1 (0.61) TUBB1GLAALDH1A1SMN1; SMN2NR4A2
Hemiasterlin SCHEMBL4173 0.92 TUBB1 (0.61) TUBB1GLAALDH1A1SMN1; SMN2NR4A2
Hemiasterlin SCHEMBL14115433 0.92 TUBB1 (0.61) TUBB1GLAALDH1A1SMN1; SMN2NR4A2
Hemiasterlin SCHEMBL29421592 0.92 TUBB1 (0.61) TUBB1GLAALDH1A1SMN1; SMN2NR4A2

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-8129407-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI INC. (US) 2012-03-06 US disclosed
US-8129407-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI INC. (US) 2012-03-06 US disclosed
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2010-03-11 US disclosed
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2010-03-11 US 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 (1 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-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS TUBB1 1330/4885GLA 1256/4885ALDH1A1 1088/4885

“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.