SCHEMBL21541110

SCHEMBL21541110

CNC(=O)c1ccc(C(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.70
PAX8 Q06710 3/20 0.70
RAB9A P51151 1/20 0.54
HSD11B1 P28845 4/20 0.53
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
P4HB P07237 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CA2 P00918 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL20634038 0.86 KMT2A (0.67) KMT2APAX8HSD11B1LMNAALDH1A1
SCHEMBL20633923 0.85 KMT2A (0.65) KMT2APAX8HSD11B1LMNAALDH1A1
SCHEMBL25128778 0.84 KMT2A (0.76) KMT2APAX8HSD11B1LMNAALDH1A1
SCHEMBL1951415 0.84 KMT2A (0.76) KMT2APAX8HSD11B1LMNAALDH1A1
SCHEMBL20633959 0.83 KMT2A (0.62) KMT2APAX8HSD11B1LMNAALDH1A1
SCHEMBL28825174 0.82 KMT2A (1.00) KMT2APAX8HSD11B1LMNAALDH1A1
SCHEMBL4617628 0.82 KMT2A (0.74) KMT2APAX8HSD11B1LMNAALDH1A1
SCHEMBL28825135 0.82 KMT2A (1.00) KMT2APAX8HSD11B1LMNAALDH1A1
SCHEMBL29275318 0.82 HSD11B1 (0.78) KMT2APAX8RAB9AHSD11B1LMNA
SCHEMBL12264849 0.80 KMT2A (0.70) KMT2APAX8HSD11B1LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807628-B2 Benzodiazepine derivatives and uses thereof INTOCELL, INC. (KR) 2023-11-07 US disclosed
US-11753431-B2 Compounds comprising cleavable linker and uses thereof INTOCELL, INC. (KR) 2023-09-12 US disclosed
US-20220162190-A1 BENZODIAZEPINE DERIVATIVES AND USES THEREOF INTOCELL, INC. (KR) 2022-05-26 US disclosed
US-20220118104-A1 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF INTOCELL, INC. (KR) 2022-04-21 US disclosed
US-20220009946-A1 FUSED HETEROCYCLIC BENZODIAZEPINE DERIVATIVES AND USES THEREOF INTOCELL, INC. (KR) 2022-01-13 US disclosed
US-20210393795-A1 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF INTOCELL, INC. (KR) 2021-12-23 US disclosed
US-20210388017-A1 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF INTOCELL, INC. (KP) 2021-12-16 US disclosed
US-11084801-B2 Benzodiazepine derivatives and uses thereof INTOCELL, INC. (KR) 2021-08-10 US disclosed
US-11065343-B2 Compound bearing beta-galactoside-introduced self-immolative linker INTOCELL INC. (KR) 2021-07-20 US disclosed
WO-2020141459-A1 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF INTOCELL, INC. (KR) 2020-07-09 WO disclosed
WO-2020141460-A2 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF INTOCELL, INC. (KR) 2020-07-09 WO disclosed
US-20190328902-A1 Compound Bearing Beta-Galactoside-Introduced Self-Immolative Linker INTOCELL INC. (KR) 2019-10-31 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 (10 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-20220118104-A1 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF VIP, ANTXR2, TNFRSF9 KMT2A 3544/4885PAX8 2311/4885RAB9A 4261/4885
US-11807628-B2 Benzodiazepine derivatives and uses thereof GABRB3, GABRB2, GABRB1 KMT2A 1869/4885PAX8 2812/4885RAB9A 3425/4885
US-20220162190-A1 BENZODIAZEPINE DERIVATIVES AND USES THEREOF GABRB3, GABRB2, GABRB1 KMT2A 1869/4885PAX8 2812/4885RAB9A 3425/4885
US-20220009946-A1 FUSED HETEROCYCLIC BENZODIAZEPINE DERIVATIVES AND USES THEREOF GABRB2, GABRB3, GABRB1 KMT2A 1898/4885PAX8 3346/4885RAB9A 2548/4885
US-11065343-B2 Compound bearing beta-galactoside-introduced self-immolative linker DDOST, B3GAT3, GALNT10 KMT2A 4590/4885PAX8 2587/4885RAB9A 3559/4885
US-20190328902-A1 Compound Bearing Beta-Galactoside-Introduced Self-Immolative Linker DDOST, B3GAT3, GALNT10 KMT2A 4590/4885PAX8 2587/4885RAB9A 3559/4885
US-20210388017-A1 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF VIP, ANTXR2, TNFRSF9 KMT2A 3544/4885PAX8 2311/4885RAB9A 4261/4885
US-11753431-B2 Compounds comprising cleavable linker and uses thereof VIP, ANTXR2, TNFRSF9 KMT2A 3544/4885PAX8 2311/4885RAB9A 4261/4885
US-11084801-B2 Benzodiazepine derivatives and uses thereof GABRB3, GABRB2, GABRB1 KMT2A 1869/4885PAX8 2812/4885RAB9A 3425/4885
US-20210393795-A1 COMPOUNDS COMPRISING CLEAVABLE LINKER AND USES THEREOF ANTXR2, VIP, TNFRSF9 KMT2A 4471/4885PAX8 3591/4885RAB9A 3493/4885

“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.