SCHEMBL4526992

SCHEMBL4526992

C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
AKT1 P31749 3/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
CTSL P07711 2/20 0.41
CTSB P07858 2/20 0.41
CTSS P25774 2/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
KEAP1 Q14145 2/20 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
SCHEMBL31667777 1.00 L3MBTL1 (0.50) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL25852154 0.88 KMT2A (0.59) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL19502098 0.87 MEN1 (0.49) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL7320870 0.87 MEN1 (0.50) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL27723700 0.86 L3MBTL1 (0.56) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL11019980 0.86 L3MBTL1 (0.43) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL13731616 0.85 L3MBTL1 (0.57) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL28273136 0.85 L3MBTL1 (0.57) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL30873949 0.85 L3MBTL1 (0.57) L3MBTL1ALDH1A1LMNAPOLBHSD17B10
SCHEMBL25934543 0.84 L3MBTL1 (0.49) L3MBTL1ALDH1A1LMNAPOLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250313553-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTL GMBH CORP (DE) 2025-10-09 US disclosed
US-20250145608-A1 KRAS DEGRADING COMPOUNDS COMPRISING ANNULATED 2-AMINO-3-CYANO THIOPHENES BOEHRINGER INGELHEIM INTL GMBH CORP (DE) 2025-05-08 US disclosed
CN-119013272-A Cyclic 2-amino-3-cyanothiophenes and derivatives thereof for the treatment of cancer 勃林格殷格翰国际有限公司 2024-11-22 CN disclosed
EP-4441050-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2024-10-09 EP disclosed
EP-4441051-A1 KRAS DEGRADING COMPOUNDS COMPRISING ANNULATED 2-AMINO-3-CYANO THIOPHENES Boehringer Ingelheim International GmbH (DE) 2024-10-09 EP disclosed
CN-118591540-A KRAS degrading compounds comprising cyclic 2-amino-3-cyanothiophenes 勃林格殷格翰国际有限公司 2024-09-03 CN disclosed
WO-2023099592-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-08 WO disclosed
WO-2023099620-A1 KRAS DEGRADING COMPOUNDS COMPRISING ANNULATED 2-AMINO-3-CYANO THIOPHENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-08 WO disclosed
WO-2023099620-A1 KRAS DEGRADING COMPOUNDS COMPRISING ANNULATED 2-AMINO-3-CYANO THIOPHENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-06-08 WO disclosed
US-8999981-B2 3-amido-pyrrolo[3,4-C]pyrazole-5(1H, 4H,6H) carbaldehyde derivatives PFIZER INC. (US) 2015-04-07 US disclosed
US-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20120108588-A1 NOVEL 3-AMIDO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H,6H) CARBALDEHYDE DERIVATIVES PFIZER, INC. (US) 2012-05-03 US disclosed
US-8114871-B2 3-amido-pyrrolo[3,4-C]pyrazole-5(1H,4H,6H) carbaldehyde derivatives PFIZER INC. (US) 2012-02-14 US disclosed
US-20100249128-A1 NOVEL 3-AMIDO-PYRROLO[3,4-C]PYRAZOLE-5(1H,4H,6H) CARBALDEHYDE DERIVATIVES PFIZER INC. 2010-09-30 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 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 (5 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-20250313553-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER KRAS, NRAS, TP53 L3MBTL1 1698/4885ALDH1A1 1920/4885LMNA 3623/4885
US-20100249128-A1 NOVEL 3-AMIDO-PYRROLO[3,4-C]PYRAZOLE-5(1H,4H,6H) CARBALDEHYDE DERIVATIVES INSR, IAPP, PYCR1 L3MBTL1 3318/4885ALDH1A1 367/4885LMNA 3650/4885
US-20250145608-A1 KRAS DEGRADING COMPOUNDS COMPRISING ANNULATED 2-AMINO-3-CYANO THIOPHENES KRAS, NRAS, TP53 L3MBTL1 3452/4885ALDH1A1 685/4885LMNA 4709/4885
US-20120108588-A1 NOVEL 3-AMIDO-PYRROLO[3,4-C]PYRAZOLE-5(1H, 4H,6H) CARBALDEHYDE DERIVATIVES INSR, IAPP, PYCR1 L3MBTL1 3318/4885ALDH1A1 367/4885LMNA 3650/4885
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA L3MBTL1 2646/4885ALDH1A1 3985/4885LMNA 3083/4885

“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.