SCHEMBL3311032

SCHEMBL3311032

C1CCC(NC2CCCCC2)CC1.CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CTSK P43235 4/20 0.48
CTSS P25774 3/20 0.48
CACNA1B Q00975 5/20 0.44
EPHX1 P07099 1/20 0.44
CYP2D6 P10635 1/20 0.43
GAA P10253 1/20 0.42
BTK Q06187 1/20 0.40
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
IDO1 P14902 1/20 0.38
ACE P12821 1/20 0.37

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
SCHEMBL29401399 1.00 HDAC4 (0.49) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL27996141 1.00 HDAC4 (0.49) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL11505471 0.87 HDAC4 (0.51) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL11096628 0.87 HDAC4 (0.51) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL29400626 0.87 HDAC4 (0.51) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL29398036 0.87 HDAC4 (0.51) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL29401603 0.87 HDAC4 (0.51) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL6578330 0.86 HDAC4 (0.56) HDAC4HDAC1HDAC6CTSKCTSS
SCHEMBL343678 0.85 CYP2D6 (0.55) CTSKCTSSCYP2D6GAAPPARA
SCHEMBL3682214 0.85 CYP2D6 (0.55) CTSKCTSSCYP2D6GAAPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed
CN-104313629-A Gold ornament cleaning fluid CHUZHOU SIMAITE COMPOSITE MATERIALS CO LTD 2015-01-28 CN disclosed
US-20100105915-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2010-04-29 US disclosed
US-7629337-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2009-12-08 US disclosed
US-7230023-B2 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2007-06-12 US disclosed
US-7183273-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2007-02-27 US disclosed
US-20060264434-A1 Chemokine receptor binding heterocyclic compounds ANORMED INC. (CA) 2006-11-23 US disclosed
EP-1163238-B1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2006-05-31 EP disclosed
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-25 US disclosed
US-20040198790-A1 Water-soluble triazole fungicide SANKYO COMPANY, LIMITED (JP) 2004-10-07 US disclosed
US-6750348-B1 PROTECTIVE EFFECTS AGAINST INFECTION BY HIV THROUGH BINDING TO CHEMOKINE RECEPTORS, INCLUDING CXCR4 AND CCR5;N-(2-PYRIDINYLMETHYL)-N'-(2-(PHENYLUREIDO)ETHYL)-N'-(5,6,7,8-TETRAHYDRO-8-QUINOLINYL)-1,4-BENZENEDIMETHANAMINE ANORMED, INC. (CA) 2004-06-15 US disclosed
EP-1362856-A1 WATER-SOLUBLE TRIAZOLE FUNGICIDE Sankyo Company, Limited (JP) 2003-11-19 EP disclosed
EP-1163238-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2001-12-19 EP disclosed
WO-2000056729-A1 CHEMOKINE RECPETOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2000-09-28 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-20060264434-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 HDAC4 2126/4885HDAC1 950/4885HDAC6 1137/4885
US-20100105915-A1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS CXCR4, CCR5, CXCR3 HDAC4 1738/4885HDAC1 836/4885HDAC6 1168/4885
US-20040198790-A1 Water-soluble triazole fungicide ERG28, CYP51A1, XDH HDAC4 1039/4885HDAC1 484/4885HDAC6 254/4885
US-20040235823-A1 Chemokine receptor binding heterocyclic compounds CCR5, CXCR4, CXCR1 HDAC4 2443/4885HDAC1 1116/4885HDAC6 1089/4885

“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.