SCHEMBL17595993

SCHEMBL17595993

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CA2 P00918 1/20 0.43
BACE1 P56817 7/20 0.41
HDAC8 Q9BY41 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
PTPRB P23467 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.40
ATM Q13315 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL17595995 1.00 MEN1 (0.45) MEN1KMT2ACA2BACE1HDAC8
SCHEMBL17595996 1.00 MEN1 (0.45) MEN1KMT2ACA2BACE1HDAC8
SCHEMBL18921022 0.91 MEN1 (0.44) MEN1KMT2ACA2BACE1HDAC8
SCHEMBL18921021 0.91 MEN1 (0.44) MEN1KMT2ACA2BACE1HDAC8
SCHEMBL23900676 0.87 SIRT5 (0.43) CA2BACE1HDAC8HDAC4HDAC1
SCHEMBL20332469 0.87 CA2 (0.45) MEN1KMT2ACA2BACE1HDAC8
SCHEMBL29558284 0.85 MEN1 (0.41) MEN1KMT2ACA2BACE1HDAC8
SCHEMBL19277932 0.84 MEN1 (0.56) MEN1KMT2ACA2BACE1CTSS
SCHEMBL19391315 0.84 MEN1 (0.56) MEN1KMT2ACA2BACE1CTSS
SCHEMBL22815478 0.84 MEN1 (0.56) MEN1KMT2ACA2BACE1CTSS

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 25 patents — showing the first 20. 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
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
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
CN-114732916-A Targeted delivery of tertiary amine-containing drug substances 西雅图基因公司 2022-07-12 CN disclosed
CN-107108694-B Targeted delivery of tertiary amine-containing drug substances 西雅图基因公司 2022-05-03 CN disclosed
EP-3383420-B1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEAGEN INC (US) 2022-03-23 EP disclosed
US-11229708-B2 Conjugates of quaternized tubulysin compounds SEAGEN INC. (US) 2022-01-25 US disclosed
EP-3191502-B1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES SEAGEN INC (US) 2021-04-21 EP disclosed
US-20190015517-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEATTLE GENETICS, INC. (US) 2019-01-17 US disclosed
US-20190015517-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEATTLE GENETICS, INC. (US) 2019-01-17 US disclosed
EP-3383420-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS Seattle Genetics, Inc. (US) 2018-10-10 EP disclosed
US-20170247412-A1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES SEATTLE GENETICS, INC. (US) 2017-08-31 US disclosed
US-20170247412-A1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES SEATTLE GENETICS, INC. (US) 2017-08-31 US disclosed
EP-3191502-A1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES Seattle Genetics, Inc. (US) 2017-07-19 EP disclosed
WO-2017096311-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEATTLE GENETICS, INC. (US) 2017-06-08 WO disclosed
WO-2017096311-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS SEATTLE GENETICS, INC. (US) 2017-06-08 WO disclosed
WO-2016040684-A1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES SEATTLE GENETICS, INC (US) 2016-03-17 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 (6 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-20170247412-A1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES CD47, CD44, MSR1 MEN1 600/4885KMT2A 1557/4885CA2 2131/4885
US-20240247030-A1 TARGETED DELIVERY OF TERTIARY AMINE-CONTAINING DRUG SUBSTANCES CD47, CD44, MSR1 MEN1 600/4885KMT2A 1557/4885CA2 2131/4885
US-20220226482-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS LCK, UACA, TEKT1 MEN1 126/4885KMT2A 2306/4885CA2 1674/4885
US-11229708-B2 Conjugates of quaternized tubulysin compounds LCK, UACA, TEKT1 MEN1 126/4885KMT2A 2306/4885CA2 1674/4885
US-20190015517-A1 CONJUGATES OF QUATERNIZED TUBULYSIN COMPOUNDS LCK, UACA, TEKT1 MEN1 126/4885KMT2A 2306/4885CA2 1674/4885
US-11793880-B2 Conjugates of quaternized tubulysin compounds LCK, UACA, TEKT1 MEN1 126/4885KMT2A 2306/4885CA2 1674/4885

“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.