SCHEMBL5856633

SCHEMBL5856633

CC(C)(CC(N)=O)CC(=O)O

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
FFAR1 O14842 1/20 0.52
CPT2 P23786 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HMGCR P04035 1/20 0.48
CHRM1 P11229 1/20 0.48
TBXA2R P21731 1/20 0.48
ADRA1A P35348 1/20 0.48
CYP2C19 P33261 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
BHMT Q93088 3/20 0.39
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.34
FFAR3 O14843 1/20 0.32
GLRA1 P23415 1/20 0.32
SLC6A9 P48067 1/20 0.32
OR51E2 Q9H255 1/20 0.32

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
SCHEMBL22561607 0.90 KDM4E (0.54) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL16280996 0.89 KDM4E (0.42) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL30854909 0.86 KDM4E (0.65) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL48109 0.86 KDM4E (0.65) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL10887236 0.83 KDM4E (0.62) KDM4EFFAR1CPT2TDP1HMGCR
Hydrochloric Acid SCHEMBL5406891 0.83 KDM4E (0.70) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL6733907 0.83 KDM4E (0.62) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL10887191 0.83 KDM4E (0.62) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL11439787 0.83 KDM4E (0.62) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL8581488 0.83 KDM4E (0.62) KDM4EFFAR1CPT2TDP1HMGCR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122160-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2025-04-17 US disclosed
CN-116829555-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2023-09-29 CN disclosed
EP-4211122-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Calico Life Sciences LLC (US) 2023-07-19 EP disclosed
WO-2022056281-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2022-03-17 WO disclosed
US-20190307776-A1 AZA-SUBSTITUTED INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2019-10-10 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-7119098-B2 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION (US) 2006-10-10 US disclosed
US-6933304-B2 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-08-23 US disclosed
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-05-13 US disclosed
EP-1289983-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-09-19 US disclosed
WO-2001096334-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 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 (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-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV KDM4E 3466/4885FFAR1 44/4885CPT2 4463/4885
US-20190307776-A1 AZA-SUBSTITUTED INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION CYP51A1, TYMP, TYMS KDM4E 334/4885FFAR1 4354/4885CPT2 4170/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B KDM4E 4382/4885FFAR1 151/4885CPT2 4832/4885
US-20250122160-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 KDM4E 2069/4885FFAR1 1760/4885CPT2 2708/4885

“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.