SCHEMBL6582129

SCHEMBL6582129

COC(=O)C1(CCCCBr)CCCC1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.70
CYP4A11 Q02928 1/20 0.70
NPSR1 Q6W5P4 1/20 0.39
CETP P11597 5/20 0.33
P2RX7 Q99572 1/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30
TSHR P16473 1/20 0.30
TBXAS1 P24557 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
SCHEMBL20597647 0.98 CYP4F2 (0.73) CYP4F2CYP4A11NPSR1CETPP2RX7
SCHEMBL6627249 0.96 CYP4F2 (0.65) CYP4F2CYP4A11NPSR1CETPTSHR
SCHEMBL6628282 0.95 CYP4F2 (0.67) CYP4F2CYP4A11NPSR1CETPP2RX7
SCHEMBL6627868 0.87 CYP4F2 (0.61) CYP4F2CYP4A11NPSR1P2RX7MAPT
SCHEMBL28840765 0.85 CYP4F2 (0.59) CYP4F2CYP4A11NPSR1CETPP2RX7
SCHEMBL3150942 0.84 CYP4F2 (0.72) CYP4F2CYP4A11NPSR1CETPMEN1
SCHEMBL22070954 0.84 CYP4F2 (0.96) CYP4F2CYP4A11NPSR1CETPP2RX7
SCHEMBL23309175 0.82 CYP4F2 (0.93) CYP4F2CYP4A11NPSR1CETPP2RX7
SCHEMBL22098215 0.82 CYP4F2 (1.00) CYP4F2CYP4A11NPSR1CETPP2RX7
SCHEMBL22098378 0.82 CYP4F2 (1.00) CYP4F2CYP4A11NPSR1CETPP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2806898-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN LA ROCHE (CH) 2018-07-18 EP disclosed
EP-2806898-B1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN LA ROCHE (CH) 2018-07-18 EP disclosed
US-9447035-B2 Integrin antagonist conjugates for targeted delivery to cells expressing VLA-4 HOFFMANN-LA ROCHE INC. (US) 2016-09-20 US disclosed
US-9447035-B2 Integrin antagonist conjugates for targeted delivery to cells expressing VLA-4 HOFFMANN-LA ROCHE INC. (US) 2016-09-20 US disclosed
US-9447035-B2 Integrin antagonist conjugates for targeted delivery to cells expressing VLA-4 HOFFMANN-LA ROCHE INC. (US) 2016-09-20 US disclosed
US-20150031715-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN-LA ROCHE INC. 2015-01-29 US disclosed
US-20150031715-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN-LA ROCHE INC. 2015-01-29 US disclosed
US-20150031715-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 HOFFMANN-LA ROCHE INC. 2015-01-29 US disclosed
EP-2806898-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 F.HOFFMANN-LA ROCHE AG (CH) 2014-12-03 EP disclosed
CN-104023751-A Integrin Antagonist Conjugates For Targeted Delivery To Cells Expressing Vla-4 HOFFMANN LA ROCHE 2014-09-03 CN disclosed
CN-1342140-A Thioamide derivatives HOFFMANN LA ROCHE (CH) 2002-03-27 CN disclosed
US-20020028933-A1 Thioamide derivatives HULL KENNETH GREGORY (US) 2002-03-07 US disclosed
US-20020010338-A1 PHENYL-KETO-IMIDAZOLIDINE THIOAMIDE DERIVATIVES HULL KENNETH G (US) 2002-01-24 US disclosed
EP-1154993-A1 THIOAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-11-21 EP disclosed
US-20010041799-A1 Diephenyl carbocyclic thioamide derivatives HULL KENNETH G (US) 2001-11-15 US disclosed
US-6288267-B1 AROMATIC CARBOXY THIOAMIDES WITH AMIDES AS DRUGS TO COUNTERACT INFLAMMATION HOFFMANN-LA ROCHE INC. 2001-09-11 US disclosed
CN-1276785-A N-aroylphenylalanine derivs. HOFFMANNN LA ROCHE AG F (CH) 2000-12-13 CN disclosed
WO-2000048994-A1 THIOAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-08-24 WO disclosed
EP-1005446-A1 N-AROYLPHENYLALANINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-07 EP disclosed
WO-1999010313-A1 N-AROYLPHENYLALANINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1999-03-04 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-20150031715-A1 INTEGRIN ANTAGONIST CONJUGATES FOR TARGETED DELIVERY TO CELLS EXPRESSING VLA-4 ITGAV, ITGA1, ITGA4 CYP4F2 4345/4885CYP4A11 4674/4885NPSR1 158/4885
US-20020028933-A1 Thioamide derivatives VCAM1, ICAM1, LTB4R CYP4F2 589/4885CYP4A11 399/4885NPSR1 2437/4885
US-20020010338-A1 PHENYL-KETO-IMIDAZOLIDINE THIOAMIDE DERIVATIVES VCAM1, ICAM1, KCNA4 CYP4F2 1188/4885CYP4A11 464/4885NPSR1 3217/4885
US-20010041799-A1 Diephenyl carbocyclic thioamide derivatives VCAM1, ICAM1, LTB4R CYP4F2 693/4885CYP4A11 291/4885NPSR1 2695/4885

“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.