SCHEMBL88956

SCHEMBL88956

CCOC(=O)/C(C)=C/C(C(C)C)N(C)C(=O)C(N)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.41
TUBB1 Q9H4B7 2/20 0.33
GLO1 Q04760 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL57769 1.00 DPP4 (0.41) DPP4TUBB1GLO1CYP2C9CYP2D6
SCHEMBL57753 1.00 DPP4 (0.41) DPP4TUBB1GLO1CYP2C9CYP2D6
SCHEMBL16861355 1.00 DPP4 (0.41) DPP4TUBB1GLO1CYP2C9CYP2D6
SCHEMBL16861356 1.00 DPP4 (0.41) DPP4TUBB1GLO1CYP2C9CYP2D6
Hydrochloric Acid SCHEMBL29511344 0.99 DPP4 (0.40) DPP4TUBB1GLO1CYP2C9CYP2D6
SCHEMBL14567882 0.88 DPP4 (0.42) DPP4GLO1CYP2C9CYP2D6CYP2C19
SCHEMBL12203122 0.86 DPP4 (0.35) DPP4TUBB1GLO1CYP2C9CYP2D6
SCHEMBL90441 0.86 DPP4 (0.35) DPP4TUBB1GLO1CYP2C9CYP2D6
SCHEMBL16169554 0.86 TUBB1 (0.34) TUBB1GLO1CYP2C9CYP2D6CYP2C19
SCHEMBL14210216 0.86 TUBB1 (0.34) TUBB1GLO1CYP2C9CYP2D6CYP2C19

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
CN-111051329-A Hamiltrin derivatives and antibody drug complexes thereof 大日本住友制药株式会社 2020-04-21 CN disclosed
CN-111032676-A Antibody drug complex comprising a hemiasterlin derivative 大日本住友制药株式会社 2020-04-17 CN disclosed
US-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2012-12-06 US disclosed
EP-2374454-A1 Hemiasterlin derivatives and uses thereof in the treatment of cancer Eisai R&D Management Co., Ltd. (JP) 2011-10-12 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 (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-20120309938-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS DPP4 4723/4885TUBB1 1330/4885GLO1 2768/4885

“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.