SCHEMBL15632507

SCHEMBL15632507

C[C@@H](NC(=O)OC(C)(C)C)C(N)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.51
▸ CTSS P25774 4/20 0.51
▸ GABRB1 P18505 1/20 0.45
▸ GABRB2 P47870 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ CTSL P07711 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ PPARA Q07869 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ ACE P12821 1/20 0.41
▸ HTT P42858 1/20 0.41

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
SCHEMBL14923545 1.00 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL7400537 1.00 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL15632169 1.00 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL14931146 0.85 CTSK (0.44) CTSKCTSSHTT
SCHEMBL14923555 0.85 CTSK (0.44) CTSKCTSSHTT
SCHEMBL28696589 0.85 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL28598937 0.85 CTSK (0.51) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL9318110 0.84 CTSK (0.53) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL16170312 0.84 NPSR1 (0.48) CTSKCTSSPPARAPPARG
SCHEMBL15081379 0.84 CTSS (0.46) CTSKCTSSGABRB1GABRB2ATM

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 7 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-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
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
WO-2014046441-A1 DOLASTATIN-10 DERIVATIVE, METHOD OF PRODUCING SAME AND ANTICANCER DRUG COMPOSITION CONTAINING SAME (주)셀트리온 (KR) 2014-03-27 — — 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 (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 CTSK 1836/4885CTSS 2620/4885GABRB1 4874/4885

“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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