SCHEMBL58339

SCHEMBL58339

[CH2]CCCC(C)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.34
EPHX1 P07099 1/20 0.30

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
SCHEMBL6741115 0.98 SHBG (0.38) SHBGEPHX1
SCHEMBL6740280 0.98 SHBG (0.38) SHBGEPHX1
SCHEMBL6742975 0.98 SHBG (0.38) SHBGEPHX1
SCHEMBL6741301 0.95 SHBG (0.30) SHBG
SCHEMBL9716381 0.91 SHBG (0.32) SHBG
SCHEMBL19515178 0.91
SCHEMBL2840978 0.90 SHBG (0.35) SHBGEPHX1
SCHEMBL22283289 0.87
SCHEMBL5545142 0.86 SHBG (0.37) SHBGEPHX1
SCHEMBL20600327 0.84 SHBG (0.41) SHBGEPHX1

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 321 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230390246-A1 Compounds and Compositions That Bind and Stabilize Transthyretin and Their Use for Inhibiting Transthyretin Amyloidosis and Protein-Protein Interactions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-12-07 US disclosed
US-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF NOBO MEDICINE INC. (KR) 2023-08-10 US disclosed
US-20230105307-A1 Identification of Stabilizers of Multimeric Proteins THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2023-04-06 US disclosed
US-11597703-B2 Caspase inhibitors and methods of use thereof HISTOGEN, INC. (US) 2023-03-07 US disclosed
US-20220202837-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-30 US disclosed
US-11337935-B2 Identification of stabilizers of multimeric proteins THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2022-05-24 US disclosed
EP-3935042-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF Conatus Pharmaceuticals, Inc. (US) 2022-01-12 EP disclosed
US-11136362-B2 Peptide modulators of specific calcineurin protein-protein interactions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2021-10-05 US disclosed
US-11129902-B2 Enhanced SN-38 anticancer agent Alhamadsheh, Mamoun M. (US) 2021-09-28 US disclosed
US-20210277014-A1 (S)-3-(2-(4-(BENZYL)-3-OXOPIPERAZIN-1-YL)ACETAMIDO)-4-OXO-5-(2,3,5,6-TETRAFLUOROPHENOXY)PENTANOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS CASPASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES HISTOGEN, INC. 2021-09-09 US disclosed
US-5968927-A AZEPINO-INDOLE COMPOUNDS; TREATMENT OF INFLAMMATORY, AUTOIMMUNE AND NEURODEGENERATIVE DISEASES, PREVENTION OF ISCHEMIC INJURY IDUN PHARMACEUTICALS, INC. (US) 1999-10-19 US disclosed
EP-0929311-A1 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1 beta-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS Idun Pharmaceuticals, Inc. (US) 1999-07-21 EP disclosed
EP-0920444-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 1999-06-09 EP disclosed
US-5877197-A C-terminal modified (N-substituted)-2-indolyl dipeptides as inhibitors of the ICE/ced-3 family of cysteine proteases CONATUS PHARMACEUTICALS, INC. 1999-03-02 US disclosed
US-5869519-A USE OF SUCH COMPOSITIONS IN THE TREATMENT OF PATIENTS SUFFERING INFLAMMATORY, AUTOIMMUNE AND NEURODEGENERATIVE DISEASES, FOR THE PREVENTION OF ISCHEMIC INJURY, AND FOR THE PRESERVATION OF ORGANS THAT ARE TO UNDERGO A TRANSPLANTATION IDUN PHARMACEUTICALS, INC. (US) 1999-02-09 US disclosed
CN-1207101-A Novel tricyclic compounds for the inhibition of the ice/ced-3 protease family of enzymes IDUM PHARMACEUTICALS INC (US) 1999-02-03 CN disclosed
EP-0874850-A1 NOVEL TRICYCLIC COMPOUNDS FOR THE INHIBITION OF THE ICE/CED-3 PROTEASE FAMILY OF ENZYMES Idun Pharmaceuticals, Inc. (US) 1998-11-04 EP disclosed
WO-1998011129-A1 C-TERMINAL MODIFIED (N-SUBSTITUTED)-2-INDOLYL DIPEPTIDES AS INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INCORPORATED (US) 1998-03-19 WO disclosed
WO-1998011109-A1 NOVEL TRICYCLIC COMPOUNDS FOR THE INHIBITION OF THE ICE/CED-3 PROTEASE FAMILY OF ENZYMES IDUN PHARMACEUTICALS, INCORPORATED (US) 1998-03-19 WO disclosed
WO-1998010778-A1 INHIBITION OF APOPTOSIS USING INTERLEUKIN-1β-CONVERTING ENZYME (ICE)/CED-3 FAMILY INHIBITORS IDUN PHARMACEUTICALS, INC. (US) 1998-03-19 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 (8 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-20230105307-A1 Identification of Stabilizers of Multimeric Proteins TTR, HSPBP1, HSPH1 SHBG 2197/4885EPHX1 3556/4885
US-20230250067-A1 CASPASE INHIBITORS AND METHODS OF USE THEREOF CASP1, CASP3, CASP7 SHBG 4186/4885EPHX1 900/4885
US-20210277014-A1 (S)-3-(2-(4-(BENZYL)-3-OXOPIPERAZIN-1-YL)ACETAMIDO)-4-OXO-5-(2,3,5,6-TETRAFLUOROPHENOXY)PENTANOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS CASPASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES CASP1, CASP3, CASP6 SHBG 3783/4885EPHX1 1194/4885
US-20220202837-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP SHBG 3182/4885EPHX1 3404/4885
US-11337935-B2 Identification of stabilizers of multimeric proteins TTR, HSPBP1, HSPH1 SHBG 2197/4885EPHX1 3556/4885
US-20230390246-A1 Compounds and Compositions That Bind and Stabilize Transthyretin and Their Use for Inhibiting Transthyretin Amyloidosis and Protein-Protein Interactions TTR, PRNP, APP SHBG 758/4885EPHX1 3399/4885
US-11129902-B2 Enhanced SN-38 anticancer agent LENG8, TSG101, CD47 SHBG 125/4885EPHX1 2049/4885
US-11597703-B2 Caspase inhibitors and methods of use thereof CASP1, CASP3, CASP7 SHBG 4186/4885EPHX1 900/4885

“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.