SCHEMBL16857528

SCHEMBL16857528

CC(C)(C)OC(=O)N1CSC[C@@H]1C=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
HSD17B10 Q99714 2/20 0.37
NR1H2 P55055 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
PREP P48147 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CTSK P43235 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL5307200 1.00 ATM (0.39) ATMHSD17B10NR1H2CHRM2CHRM1
SCHEMBL3199170 1.00 ATM (0.39) ATMHSD17B10NR1H2CHRM2CHRM1
SCHEMBL6897583 0.84 PREP (0.38) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL6897589 0.84 PREP (0.38) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL4843577 0.78 ATM (0.36) ATMHSD17B10NR1H2CHRM2CHRM1
SCHEMBL14209894 0.78 ATM (0.39) ATMHSD17B10NR1H2CHRM2CHRM1
SCHEMBL12203690 0.78 ATM (0.39) ATMHSD17B10NR1H2CHRM2CHRM1
SCHEMBL27538723 0.78 ATM (0.39) ATMHSD17B10NR1H2CHRM2CHRM1
SCHEMBL2277430 0.78 NR1H2 (0.44) HSD17B10NR1H2CHRM2CHRM1CHRM3
SCHEMBL7914485 0.77 NR1H2 (0.42) ATMHSD17B10NR1H2CHRM2CHRM1

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
EP-2889287-B1 DOLASTATIN-10 DERIVATIVE, METHOD OF PRODUCING SAME AND ANTICANCER DRUG COMPOSITION CONTAINING SAME CELLTRION INC (KR) 2016-08-31 EP disclosed
US-9278996-B2 Dolastatin-10 derivative, method of producing the same and anticancer drug composition containing the same CELLTRION, INC. (KR) 2016-03-08 US disclosed
US-20150225455-A1 DOLASTATIN-10 DERIVATIVE, METHOD OF PRODUCING THE SAME AND ANTICANCER DRUG COMPOSITION CONTAINING THE SAME CELLTRION, INC. (KR) 2015-08-13 US disclosed
EP-2889287-A1 DOLASTATIN-10 DERIVATIVE, METHOD OF PRODUCING SAME AND ANTICANCER DRUG COMPOSITION CONTAINING SAME Celltrion, Inc. (KR) 2015-07-01 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-20150225455-A1 DOLASTATIN-10 DERIVATIVE, METHOD OF PRODUCING THE SAME AND ANTICANCER DRUG COMPOSITION CONTAINING THE SAME DAD1, DDOST, SCD5 ATM 3455/4885HSD17B10 127/4885NR1H2 258/4885

“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.