SCHEMBL16169549

SCHEMBL16169549

C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NC(CO)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 1/20 0.41
▸ TUBB1 Q9H4B7 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ TACR1 P25103 8/20 0.38
▸ CMA1 P23946 4/20 0.38
▸ OPRM1 P35372 2/20 0.38
▸ OPRD1 P41143 2/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ ELANE P08246 2/20 0.37
▸ CTSG P08311 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
SCHEMBL17733999 1.00 CTRB1 (0.41) CTRB1TUBB1SLC6A2TACR1CMA1
SCHEMBL13848659 1.00 CTRB1 (0.41) CTRB1TUBB1SLC6A2TACR1CMA1
SCHEMBL13682340 1.00 CTRB1 (0.41) CTRB1TUBB1SLC6A2TACR1CMA1
SCHEMBL59463 1.00 CTRB1 (0.41) CTRB1TUBB1SLC6A2TACR1CMA1
SCHEMBL17734047 1.00 CTRB1 (0.41) CTRB1TUBB1SLC6A2TACR1CMA1
SCHEMBL59201 0.91 TUBB1 (0.44) TUBB1ELANE
SCHEMBL13682364 0.91 TUBB1 (0.44) TUBB1ELANE
SCHEMBL17734027 0.91 TUBB1 (0.44) TUBB1ELANE
SCHEMBL59486 0.89 TACR1 (0.42) TUBB1TACR1ELANE
SCHEMBL15430034 0.89 CMA1 (0.43) TACR1CMA1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD (JP) 2014-10-16 — — 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-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS CTRB1 520/4885TUBB1 1330/4885SLC6A2 4784/4885

“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.

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