SCHEMBL29475211

SCHEMBL29475211

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.54
▸ CTSS P25774 4/20 0.54
▸ FNTA P49354 1/20 0.44
▸ FNTB P49356 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ CA2 P00918 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40

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
SCHEMBL12835706 0.91 CTSS (0.56) CTSKCTSSFNTAFNTBMEN1
SCHEMBL29558421 0.91 CTSS (0.56) CTSKCTSSFNTAFNTBMEN1
SCHEMBL11494122 0.88 CTSS (0.53) CTSKCTSSFNTAFNTBMEN1
SCHEMBL11494115 0.88 CTSS (0.53) CTSKCTSSFNTAFNTBMEN1
SCHEMBL29454915 0.86 CTSK (0.50) CTSKCTSSCYP2D6MEN1KMT2A
SCHEMBL10308623 0.86 CTSK (0.46) CTSKCTSSFNTAFNTBMEN1
SCHEMBL617475 0.86 PPARA (0.48) CTSKCTSSCYP2D6MEN1KMT2A
SCHEMBL617476 0.86 PPARA (0.48) CTSKCTSSCYP2D6MEN1KMT2A
SCHEMBL2564729 0.86 PPARA (0.48) CTSKCTSSCYP2D6MEN1KMT2A
SCHEMBL22500526 0.83 CTSK (0.59) CTSKCTSSFNTAFNTBMEN1

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
US-20240247030-A1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES JPMORGAN CHASE BANK, N.A. 2024-07-25 — — US disclosed
US-20240156969-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEAGEN INC (US) 2024-05-16 — — US disclosed
EP-3900742-B1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES SEAGEN INC (US) 2024-05-15 — — EP disclosed
US-11793880-B2 Conjugates of quaternized tubulysin compounds SEAGEN INC. (US) 2023-10-24 — — US disclosed
EP-4074328-A1 INTERMEDIATES OF CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS Seagen Inc. (US) 2022-10-19 — — EP disclosed
US-20220226482-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEAGEN INC (US) 2022-07-21 — — US disclosed
EP-3383420-B1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEAGEN INC (US) 2022-03-23 — — 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 (4 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-20240247030-A1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES CD47, CD44, MSR1 CTSK 3383/4885CTSS 3176/4885FNTA 2535/4885
US-20220226482-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS LCK, UACA, TEKT1 CTSK 1371/4885CTSS 2029/4885FNTA 1649/4885
US-20240156969-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS LCK, UACA, TEKT1 CTSK 1371/4885CTSS 2029/4885FNTA 1649/4885
US-11793880-B2 Conjugates of quaternized tubulysin compounds LCK, UACA, TEKT1 CTSK 1371/4885CTSS 2029/4885FNTA 1649/4885

“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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